 Entering Gaussian System, Link 0=g16
 Input=12_L-valine_conformer06_STD_wB97XD_augccpVDZ.in
 Output=12_L-valine_conformer06_STD_wB97XD_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
            -H     0
            S    4   1.00
                  1.301000D+01           1.968500D-02
                  1.962000D+00           1.379770D-01
                  4.446000D-01           4.781480D-01
                  1.220000D-01           5.012400D-01
            S    1   1.00
                  1.220000D-01           1.000000D+00
            S    1   1.00
                  0.0297400              1.0000000
            P    1   1.00
                  7.270000D-01           1.0000000
            P    1   1.00
                  0.1410000              1.0000000
            ****
            -He     0
            S    4   1.00
                  3.836000D+01           2.380900D-02
                  5.770000D+00           1.548910D-01
                  1.240000D+00           4.699870D-01
                  2.976000D-01           5.130270D-01
            S    1   1.00
                  2.976000D-01           1.000000D+00
            S    1   1.00
                  0.0725500              1.0000000
            P    1   1.00
                  1.275000D+00           1.0000000
            P    1   1.00
                  0.2473000              1.0000000
            ****
            -Li     0
            S    9   1.00
                  1.469000D+03           7.660000D-04
                  2.205000D+02           5.892000D-03
                  5.026000D+01           2.967100D-02
                  1.424000D+01           1.091800D-01
                  4.581000D+00           2.827890D-01
                  1.580000D+00           4.531230D-01
                  5.640000D-01           2.747740D-01
                  7.345000D-02           9.751000D-03
                  2.805000D-02          -3.180000D-03
            S    9   1.00
                  1.469000D+03          -1.200000D-04
                  2.205000D+02          -9.230000D-04
                  5.026000D+01          -4.689000D-03
                  1.424000D+01          -1.768200D-02
                  4.581000D+00          -4.890200D-02
                  1.580000D+00          -9.600900D-02
                  5.640000D-01          -1.363800D-01
                  7.345000D-02           5.751020D-01
                  2.805000D-02           5.176610D-01
            S    1   1.00
                  2.805000D-02           1.000000D+00
            S    1   1.00
                  8.600000D-03           1.000000D+00
            P    4   1.00
                  1.534000D+00           2.278400D-02
                  2.749000D-01           1.391070D-01
                  7.362000D-02           5.003750D-01
                  2.403000D-02           5.084740D-01
            P    1   1.00
                  2.403000D-02           1.000000D+00
            P    1   1.00
                  5.800000D-03           1.000000D+00
            D    1   1.00
                  1.144000D-01           1.0000000
            D    1   1.00
                  7.330000D-02           1.000000D+00
            ****
            -Be     0
            S    9   1.00
                  2.940000D+03           6.800000D-04
                  4.412000D+02           5.236000D-03
                  1.005000D+02           2.660600D-02
                  2.843000D+01           9.999300D-02
                  9.169000D+00           2.697020D-01
                  3.196000D+00           4.514690D-01
                  1.159000D+00           2.950740D-01
                  1.811000D-01           1.258700D-02
                  5.890000D-02          -3.756000D-03
            S    9   1.00
                  2.940000D+03          -1.230000D-04
                  4.412000D+02          -9.660000D-04
                  1.005000D+02          -4.831000D-03
                  2.843000D+01          -1.931400D-02
                  9.169000D+00          -5.328000D-02
                  3.196000D+00          -1.207230D-01
                  1.159000D+00          -1.334350D-01
                  1.811000D-01           5.307670D-01
                  5.890000D-02           5.801170D-01
            S    1   1.00
                  5.890000D-02           1.000000D+00
            S    1   1.00
                  1.790000D-02           1.000000D+00
            P    4   1.00
                  3.619000D+00           2.911100D-02
                  7.110000D-01           1.693650D-01
                  1.951000D-01           5.134580D-01
                  6.018000D-02           4.793380D-01
            P    1   1.00
                  6.018000D-02           1.000000D+00
            P    1   1.00
                  1.110000D-02           1.000000D+00
            D    1   1.00
                  2.354000D-01           1.0000000
            D    1   1.00
                  7.220000D-02           1.000000D+00
            ****
            -B     0
            S    9   1.00
                  4.570000D+03           6.960000D-04
                  6.859000D+02           5.353000D-03
                  1.565000D+02           2.713400D-02
                  4.447000D+01           1.013800D-01
                  1.448000D+01           2.720550D-01
                  5.131000D+00           4.484030D-01
                  1.898000D+00           2.901230D-01
                  3.329000D-01           1.432200D-02
                  1.043000D-01          -3.486000D-03
            S    9   1.00
                  4.570000D+03          -1.390000D-04
                  6.859000D+02          -1.097000D-03
                  1.565000D+02          -5.444000D-03
                  4.447000D+01          -2.191600D-02
                  1.448000D+01          -5.975100D-02
                  5.131000D+00          -1.387320D-01
                  1.898000D+00          -1.314820D-01
                  3.329000D-01           5.395260D-01
                  1.043000D-01           5.807740D-01
            S    1   1.00
                  1.043000D-01           1.000000D+00
            S    1   1.00
                  0.0310500              1.0000000
            P    4   1.00
                  6.001000D+00           3.548100D-02
                  1.241000D+00           1.980720D-01
                  3.364000D-01           5.052300D-01
                  9.538000D-02           4.794990D-01
            P    1   1.00
                  9.538000D-02           1.000000D+00
            P    1   1.00
                  0.0237800              1.0000000
            D    1   1.00
                  3.430000D-01           1.0000000
            D    1   1.00
                  0.0904000              1.0000000
            ****
            -C     0
            S    9   1.00
                  6.665000D+03           6.920000D-04
                  1.000000D+03           5.329000D-03
                  2.280000D+02           2.707700D-02
                  6.471000D+01           1.017180D-01
                  2.106000D+01           2.747400D-01
                  7.495000D+00           4.485640D-01
                  2.797000D+00           2.850740D-01
                  5.215000D-01           1.520400D-02
                  1.596000D-01          -3.191000D-03
            S    9   1.00
                  6.665000D+03          -1.460000D-04
                  1.000000D+03          -1.154000D-03
                  2.280000D+02          -5.725000D-03
                  6.471000D+01          -2.331200D-02
                  2.106000D+01          -6.395500D-02
                  7.495000D+00          -1.499810D-01
                  2.797000D+00          -1.272620D-01
                  5.215000D-01           5.445290D-01
                  1.596000D-01           5.804960D-01
            S    1   1.00
                  1.596000D-01           1.000000D+00
            S    1   1.00
                  0.0469000              1.0000000
            P    4   1.00
                  9.439000D+00           3.810900D-02
                  2.002000D+00           2.094800D-01
                  5.456000D-01           5.085570D-01
                  1.517000D-01           4.688420D-01
            P    1   1.00
                  1.517000D-01           1.000000D+00
            P    1   1.00
                  0.0404100              1.0000000
            D    1   1.00
                  5.500000D-01           1.0000000
            D    1   1.00
                  0.1510000              1.0000000
            ****
            -N     0
            S    9   1.00
                  9.046000D+03           7.000000D-04
                  1.357000D+03           5.389000D-03
                  3.093000D+02           2.740600D-02
                  8.773000D+01           1.032070D-01
                  2.856000D+01           2.787230D-01
                  1.021000D+01           4.485400D-01
                  3.838000D+00           2.782380D-01
                  7.466000D-01           1.544000D-02
                  2.248000D-01          -2.864000D-03
            S    9   1.00
                  9.046000D+03          -1.530000D-04
                  1.357000D+03          -1.208000D-03
                  3.093000D+02          -5.992000D-03
                  8.773000D+01          -2.454400D-02
                  2.856000D+01          -6.745900D-02
                  1.021000D+01          -1.580780D-01
                  3.838000D+00          -1.218310D-01
                  7.466000D-01           5.490030D-01
                  2.248000D-01           5.788150D-01
            S    1   1.00
                  2.248000D-01           1.000000D+00
            S    1   1.00
                  0.0612400              1.0000000
            P    4   1.00
                  1.355000D+01           3.991900D-02
                  2.917000D+00           2.171690D-01
                  7.973000D-01           5.103190D-01
                  2.185000D-01           4.622140D-01
            P    1   1.00
                  2.185000D-01           1.000000D+00
            P    1   1.00
                  0.0561100              1.0000000
            D    1   1.00
                  8.170000D-01           1.0000000
            D    1   1.00
                  0.2300000              1.0000000
            ****
            -O     0
            S    9   1.00
                  1.172000D+04           7.100000D-04
                  1.759000D+03           5.470000D-03
                  4.008000D+02           2.783700D-02
                  1.137000D+02           1.048000D-01
                  3.703000D+01           2.830620D-01
                  1.327000D+01           4.487190D-01
                  5.025000D+00           2.709520D-01
                  1.013000D+00           1.545800D-02
                  3.023000D-01          -2.585000D-03
            S    9   1.00
                  1.172000D+04          -1.600000D-04
                  1.759000D+03          -1.263000D-03
                  4.008000D+02          -6.267000D-03
                  1.137000D+02          -2.571600D-02
                  3.703000D+01          -7.092400D-02
                  1.327000D+01          -1.654110D-01
                  5.025000D+00          -1.169550D-01
                  1.013000D+00           5.573680D-01
                  3.023000D-01           5.727590D-01
            S    1   1.00
                  3.023000D-01           1.000000D+00
            S    1   1.00
                  0.0789600              1.0000000
            P    4   1.00
                  1.770000D+01           4.301800D-02
                  3.854000D+00           2.289130D-01
                  1.046000D+00           5.087280D-01
                  2.753000D-01           4.605310D-01
            P    1   1.00
                  2.753000D-01           1.000000D+00
            P    1   1.00
                  0.0685600              1.0000000
            D    1   1.00
                  1.185000D+00           1.0000000
            D    1   1.00
                  0.3320000              1.0000000
            ****
            -F     0
            S    9   1.00
                  1.471000D+04           7.210000D-04
                  2.207000D+03           5.553000D-03
                  5.028000D+02           2.826700D-02
                  1.426000D+02           1.064440D-01
                  4.647000D+01           2.868140D-01
                  1.670000D+01           4.486410D-01
                  6.356000D+00           2.647610D-01
                  1.316000D+00           1.533300D-02
                  3.897000D-01          -2.332000D-03
            S    9   1.00
                  1.471000D+04          -1.650000D-04
                  2.207000D+03          -1.308000D-03
                  5.028000D+02          -6.495000D-03
                  1.426000D+02          -2.669100D-02
                  4.647000D+01          -7.369000D-02
                  1.670000D+01          -1.707760D-01
                  6.356000D+00          -1.123270D-01
                  1.316000D+00           5.628140D-01
                  3.897000D-01           5.687780D-01
            S    1   1.00
                  3.897000D-01           1.000000D+00
            S    1   1.00
                  0.0986300              1.0000000
            P    4   1.00
                  2.267000D+01           4.487800D-02
                  4.977000D+00           2.357180D-01
                  1.347000D+00           5.085210D-01
                  3.471000D-01           4.581200D-01
            P    1   1.00
                  3.471000D-01           1.000000D+00
            P    1   1.00
                  0.0850200              1.0000000
            D    1   1.00
                  1.640000D+00           1.0000000
            D    1   1.00
                  0.4640000              1.0000000
            ****
            -Ne     0
            S    9   1.00
                  1.788000D+04           7.380000D-04
                  2.683000D+03           5.677000D-03
                  6.115000D+02           2.888300D-02
                  1.735000D+02           1.085400D-01
                  5.664000D+01           2.909070D-01
                  2.042000D+01           4.483240D-01
                  7.810000D+00           2.580260D-01
                  1.653000D+00           1.506300D-02
                  4.869000D-01          -2.100000D-03
            S    9   1.00
                  1.788000D+04          -1.720000D-04
                  2.683000D+03          -1.357000D-03
                  6.115000D+02          -6.737000D-03
                  1.735000D+02          -2.766300D-02
                  5.664000D+01          -7.620800D-02
                  2.042000D+01          -1.752270D-01
                  7.810000D+00          -1.070380D-01
                  1.653000D+00           5.670500D-01
                  4.869000D-01           5.652160D-01
            S    1   1.00
                  4.869000D-01           1.000000D+00
            S    1   1.00
                  0.1230000              1.0000000
            P    4   1.00
                  2.839000D+01           4.608700D-02
                  6.270000D+00           2.401810D-01
                  1.695000D+00           5.087440D-01
                  4.317000D-01           4.556600D-01
            P    1   1.00
                  4.317000D-01           1.000000D+00
            P    1   1.00
                  0.1064000              1.0000000
            D    1   1.00
                  2.202000D+00           1.0000000
            D    1   1.00
                  0.6310000              1.0000000
            ****
            -Na     0
            S    12   1.00
                  3.170000D+04           4.588780D-04
                  4.755000D+03           3.550700D-03
                  1.082000D+03           1.826180D-02
                  3.064000D+02           7.166500D-02
                  9.953000D+01           2.123460D-01
                  3.542000D+01           4.162030D-01
                  1.330000D+01           3.730200D-01
                  4.392000D+00           6.250540D-02
                  1.676000D+00          -6.245320D-03
                  5.889000D-01           2.433740D-03
                  5.640000D-02          -4.423810D-04
                  2.307000D-02           2.419240D-04
            S    12   1.00
                  3.170000D+04          -1.121620D-04
                  4.755000D+03          -8.685120D-04
                  1.082000D+03          -4.513300D-03
                  3.064000D+02          -1.814360D-02
                  9.953000D+01          -5.807990D-02
                  3.542000D+01          -1.376530D-01
                  1.330000D+01          -1.939080D-01
                  4.392000D+00           8.580090D-02
                  1.676000D+00           6.044190D-01
                  5.889000D-01           4.417190D-01
                  5.640000D-02           1.305470D-02
                  2.307000D-02          -5.680850D-03
            S    12   1.00
                  3.170000D+04           1.701600D-05
                  4.755000D+03           1.306930D-04
                  1.082000D+03           6.877840D-04
                  3.064000D+02           2.723590D-03
                  9.953000D+01           8.955290D-03
                  3.542000D+01           2.078320D-02
                  1.330000D+01           3.193800D-02
                  4.392000D+00          -1.913680D-02
                  1.676000D+00          -1.025950D-01
                  5.889000D-01          -1.989450D-01
                  5.640000D-02           6.559520D-01
                  2.307000D-02           4.311530D-01
            S    1   1.00
                  2.307000D-02           1.000000D+00
            S    1   1.00
                  7.200000D-03           1.000000D+00
            P    8   1.00
                  1.381000D+02           5.796410D-03
                  3.224000D+01           4.157560D-02
                  9.985000D+00           1.628730D-01
                  3.484000D+00           3.594010D-01
                  1.231000D+00           4.499880D-01
                  4.177000D-01           2.275070D-01
                  6.513000D-02           8.082470D-03
                  2.053000D-02          -1.962930D-03
            P    8   1.00
                  1.381000D+02          -5.815310D-04
                  3.224000D+01          -4.073060D-03
                  9.985000D+00          -1.679370D-02
                  3.484000D+00          -3.532680D-02
                  1.231000D+00          -5.219710D-02
                  4.177000D-01          -1.683590D-02
                  6.513000D-02           4.346130D-01
                  2.053000D-02           6.582180D-01
            P    1   1.00
                  2.053000D-02           1.000000D+00
            P    1   1.00
                  5.700000D-03           1.000000D+00
            D    1   1.00
                  9.280000D-02           1.0000000
            D    1   1.00
                  4.800000D-02           1.000000D+00
            ****
            -Mg     0
            S    12   1.00
                  4.739000D+04           3.460230D-04
                  7.108000D+03           2.680770D-03
                  1.618000D+03           1.383670D-02
                  4.584000D+02           5.517670D-02
                  1.493000D+02           1.696600D-01
                  5.359000D+01           3.647030D-01
                  2.070000D+01           4.068560D-01
                  8.384000D+00           1.350890D-01
                  2.542000D+00           4.908840D-03
                  8.787000D-01           2.864600D-04
                  1.077000D-01           2.645900D-05
                  3.999000D-02          -1.127080D-05
            S    12   1.00
                  4.739000D+04          -8.778390D-05
                  7.108000D+03          -6.747250D-04
                  1.618000D+03          -3.556030D-03
                  4.584000D+02          -1.421540D-02
                  1.493000D+02          -4.767480D-02
                  5.359000D+01          -1.148920D-01
                  2.070000D+01          -2.006760D-01
                  8.384000D+00          -3.412240D-02
                  2.542000D+00           5.704540D-01
                  8.787000D-01           5.423090D-01
                  1.077000D-01           2.181280D-02
                  3.999000D-02          -8.277000D-03
            S    12   1.00
                  4.739000D+04           1.696280D-05
                  7.108000D+03           1.298650D-04
                  1.618000D+03           6.888310D-04
                  4.584000D+02           2.735330D-03
                  1.493000D+02           9.312240D-03
                  5.359000D+01           2.232650D-02
                  2.070000D+01           4.111950D-02
                  8.384000D+00           5.456420D-03
                  2.542000D+00          -1.340120D-01
                  8.787000D-01          -2.561760D-01
                  1.077000D-01           6.058560D-01
                  3.999000D-02           5.094460D-01
            S    1   1.00
                  3.999000D-02           1.000000D+00
            S    1   1.00
                  1.420000D-02           1.000000D+00
            P    8   1.00
                  1.799000D+02           5.381610D-03
                  4.214000D+01           3.924180D-02
                  1.313000D+01           1.574450D-01
                  4.628000D+00           3.585350D-01
                  1.670000D+00           4.572260D-01
                  5.857000D-01           2.159180D-01
                  1.311000D-01           6.649480D-03
                  4.112000D-02          -1.253040D-04
            P    8   1.00
                  1.799000D+02          -8.659480D-04
                  4.214000D+01          -6.159780D-03
                  1.313000D+01          -2.615190D-02
                  4.628000D+00          -5.706470D-02
                  1.670000D+00          -8.739060D-02
                  5.857000D-01          -1.229900D-02
                  1.311000D-01           5.020850D-01
                  4.112000D-02           5.972450D-01
            P    1   1.00
                  4.112000D-02           1.000000D+00
            P    1   1.00
                  1.050000D-02           1.000000D+00
            D    1   1.00
                  1.932000D-01           1.0000000
            D    1   1.00
                  6.050000D-02           1.000000D+00
            ****
            -Al     0
            S    12   1.00
                  6.415000D+04           2.902500D-04
                  9.617000D+03           2.250640D-03
                  2.189000D+03           1.164590D-02
                  6.205000D+02           4.673770D-02
                  2.027000D+02           1.462990D-01
                  7.315000D+01           3.302830D-01
                  2.855000D+01           4.158610D-01
                  1.177000D+01           1.892530D-01
                  3.300000D+00           1.158890D-02
                  1.173000D+00          -1.283850D-03
                  1.752000D-01           4.258830D-04
                  6.473000D-02          -1.992800D-04
            S    12   1.00
                  6.415000D+04          -7.580480D-05
                  9.617000D+03          -5.817910D-04
                  2.189000D+03          -3.081130D-03
                  6.205000D+02          -1.231120D-02
                  2.027000D+02          -4.197810D-02
                  7.315000D+01          -1.033710D-01
                  2.855000D+01          -1.963080D-01
                  1.177000D+01          -8.300020D-02
                  3.300000D+00           5.410400D-01
                  1.173000D+00           5.787960D-01
                  1.752000D-01           2.881470D-02
                  6.473000D-02          -9.537950D-03
            S    12   1.00
                  6.415000D+04           1.750780D-05
                  9.617000D+03           1.342080D-04
                  2.189000D+03           7.124420D-04
                  6.205000D+02           2.843300D-03
                  2.027000D+02           9.768420D-03
                  7.315000D+01           2.418500D-02
                  2.855000D+01           4.749930D-02
                  1.177000D+01           2.036210D-02
                  3.300000D+00          -1.587880D-01
                  1.173000D+00          -3.116940D-01
                  1.752000D-01           6.201470D-01
                  6.473000D-02           5.209430D-01
            S    1   1.00
                  6.473000D-02           1.000000D+00
            S    1   1.00
                  0.0231000              1.0000000
            P    8   1.00
                  2.588000D+02           4.068470D-03
                  6.089000D+01           3.068150D-02
                  1.914000D+01           1.291490D-01
                  6.881000D+00           3.208310D-01
                  2.574000D+00           4.538150D-01
                  9.572000D-01           2.750660D-01
                  2.099000D-01           1.908070D-02
                  5.986000D-02          -3.128480D-03
            P    8   1.00
                  2.588000D+02          -7.480530D-04
                  6.089000D+01          -5.457960D-03
                  1.914000D+01          -2.453710D-02
                  6.881000D+00          -5.821380D-02
                  2.574000D+00          -9.837560D-02
                  9.572000D-01          -2.600640D-02
                  2.099000D-01           4.640200D-01
                  5.986000D-02           6.488700D-01
            P    1   1.00
                  5.986000D-02           1.000000D+00
            P    1   1.00
                  0.0153000              1.0000000
            D    1   1.00
                  1.890000D-01           1.0000000
            D    1   1.00
                  0.0535000              1.0000000
            ****
            -Si     0
            S    12   1.00
                  7.886000D+04           2.704430D-04
                  1.182000D+04           2.097170D-03
                  2.692000D+03           1.085060D-02
                  7.634000D+02           4.367540D-02
                  2.496000D+02           1.376530D-01
                  9.028000D+01           3.166440D-01
                  3.529000D+01           4.185810D-01
                  1.451000D+01           2.102120D-01
                  4.053000D+00           1.449520D-02
                  1.482000D+00          -2.035900D-03
                  2.517000D-01           6.241860D-04
                  9.243000D-02          -2.828720D-04
            S    12   1.00
                  7.886000D+04          -7.231770D-05
                  1.182000D+04          -5.551160D-04
                  2.692000D+03          -2.938050D-03
                  7.634000D+02          -1.176870D-02
                  2.496000D+02          -4.029070D-02
                  9.028000D+01          -1.006090D-01
                  3.529000D+01          -1.965280D-01
                  1.451000D+01          -1.023820D-01
                  4.053000D+00           5.271900D-01
                  1.482000D+00           5.932510D-01
                  2.517000D-01           3.326520D-02
                  9.243000D-02          -9.736620D-03
            S    12   1.00
                  7.886000D+04           1.851130D-05
                  1.182000D+04           1.422360D-04
                  2.692000D+03           7.521850D-04
                  7.634000D+02           3.022790D-03
                  2.496000D+02           1.036770D-02
                  9.028000D+01           2.625630D-02
                  3.529000D+01           5.239890D-02
                  1.451000D+01           2.909590D-02
                  4.053000D+00          -1.780030D-01
                  1.482000D+00          -3.468740D-01
                  2.517000D-01           6.230200D-01
                  9.243000D-02           5.377120D-01
            S    1   1.00
                  9.243000D-02           1.000000D+00
            S    1   1.00
                  0.0332000              1.0000000
            P    8   1.00
                  3.159000D+02           3.926560D-03
                  7.442000D+01           2.988110D-02
                  2.348000D+01           1.272120D-01
                  8.488000D+00           3.209430D-01
                  3.217000D+00           4.554290D-01
                  1.229000D+00           2.685630D-01
                  2.964000D-01           1.883360D-02
                  8.768000D-02          -2.624310D-03
            P    8   1.00
                  3.159000D+02          -8.583020D-04
                  7.442000D+01          -6.303280D-03
                  2.348000D+01          -2.882550D-02
                  8.488000D+00          -6.945600D-02
                  3.217000D+00          -1.194930D-01
                  1.229000D+00          -1.995810D-02
                  2.964000D-01           5.102680D-01
                  8.768000D-02           6.003820D-01
            P    1   1.00
                  8.768000D-02           1.000000D+00
            P    1   1.00
                  0.0250000              1.0000000
            D    1   1.00
                  2.750000D-01           1.0000000
            D    1   1.00
                  0.0823000              1.0000000
            ****
            -P     0
            S    12   1.00
                  9.484000D+04           2.555090D-04
                  1.422000D+04           1.981930D-03
                  3.236000D+03           1.027600D-02
                  9.171000D+02           4.148230D-02
                  2.995000D+02           1.319840D-01
                  1.081000D+02           3.086620D-01
                  4.218000D+01           4.206470D-01
                  1.728000D+01           2.228780D-01
                  4.858000D+00           1.640350D-02
                  1.818000D+00          -2.542550D-03
                  3.372000D-01           7.480500D-04
                  1.232000D-01          -3.309630D-04
            S    12   1.00
                  9.484000D+04          -6.969390D-05
                  1.422000D+04          -5.352660D-04
                  3.236000D+03          -2.837090D-03
                  9.171000D+02          -1.139830D-02
                  2.995000D+02          -3.929290D-02
                  1.081000D+02          -9.963640D-02
                  4.218000D+01          -1.979830D-01
                  1.728000D+01          -1.148600D-01
                  4.858000D+00           5.185950D-01
                  1.818000D+00           6.018470D-01
                  3.372000D-01           3.686120D-02
                  1.232000D-01          -9.707590D-03
            S    12   1.00
                  9.484000D+04           1.911990D-05
                  1.422000D+04           1.472230D-04
                  3.236000D+03           7.779120D-04
                  9.171000D+02           3.145460D-03
                  2.995000D+02           1.082000D-02
                  1.081000D+02           2.799570D-02
                  4.218000D+01           5.639780D-02
                  1.728000D+01           3.581900D-02
                  4.858000D+00          -1.933870D-01
                  1.818000D+00          -3.720970D-01
                  3.372000D-01           6.242460D-01
                  1.232000D-01           5.517210D-01
            S    1   1.00
                  1.232000D-01           1.000000D+00
            S    1   1.00
                  0.0417000              1.0000000
            P    8   1.00
                  3.705000D+02           3.950050D-03
                  8.733000D+01           3.024920D-02
                  2.759000D+01           1.295540D-01
                  1.000000D+01           3.275940D-01
                  3.825000D+00           4.569920D-01
                  1.494000D+00           2.530860D-01
                  3.921000D-01           1.687980D-02
                  1.186000D-01          -2.070930D-03
            P    8   1.00
                  3.705000D+02          -9.598320D-04
                  8.733000D+01          -7.111770D-03
                  2.759000D+01          -3.271220D-02
                  1.000000D+01          -7.957840D-02
                  3.825000D+00          -1.350160D-01
                  1.494000D+00          -9.105850D-03
                  3.921000D-01           5.378020D-01
                  1.186000D-01           5.690660D-01
            P    1   1.00
                  1.186000D-01           1.000000D+00
            P    1   1.00
                  0.0343000              1.0000000
            D    1   1.00
                  3.730000D-01           1.0000000
            D    1   1.00
                  0.1130000              1.0000000
            ****
            -S     0
            S    12   1.00
                  1.108000D+05           2.476350D-04
                  1.661000D+04           1.920260D-03
                  3.781000D+03           9.961920D-03
                  1.071000D+03           4.029750D-02
                  3.498000D+02           1.286040D-01
                  1.263000D+02           3.034800D-01
                  4.926000D+01           4.214320D-01
                  2.016000D+01           2.307810D-01
                  5.720000D+00           1.789710D-02
                  2.182000D+00          -2.975160D-03
                  4.327000D-01           8.495220D-04
                  1.570000D-01          -3.679360D-04
            S    12   1.00
                  1.108000D+05          -6.870390D-05
                  1.661000D+04          -5.276810D-04
                  3.781000D+03          -2.796710D-03
                  1.071000D+03          -1.126510D-02
                  3.498000D+02          -3.888340D-02
                  1.263000D+02          -9.950250D-02
                  4.926000D+01          -1.997400D-01
                  2.016000D+01          -1.233600D-01
                  5.720000D+00           5.131940D-01
                  2.182000D+00           6.071200D-01
                  4.327000D-01           3.967530D-02
                  1.570000D-01          -9.468640D-03
            S    12   1.00
                  1.108000D+05           1.990770D-05
                  1.661000D+04           1.534830D-04
                  3.781000D+03           8.095030D-04
                  1.071000D+03           3.289740D-03
                  3.498000D+02           1.129670D-02
                  1.263000D+02           2.963850D-02
                  4.926000D+01           5.998510D-02
                  2.016000D+01           4.132480D-02
                  5.720000D+00          -2.074740D-01
                  2.182000D+00          -3.928890D-01
                  4.327000D-01           6.328400D-01
                  1.570000D-01           5.569240D-01
            S    1   1.00
                  1.570000D-01           1.000000D+00
            S    1   1.00
                  0.0507000              1.0000000
            P    8   1.00
                  3.997000D+02           4.475410D-03
                  9.419000D+01           3.417080D-02
                  2.975000D+01           1.442500D-01
                  1.077000D+01           3.539280D-01
                  4.119000D+00           4.590850D-01
                  1.625000D+00           2.063830D-01
                  4.726000D-01           1.021410D-02
                  1.407000D-01          -6.031220D-05
            P    8   1.00
                  3.997000D+02          -1.162510D-03
                  9.419000D+01          -8.656640D-03
                  2.975000D+01          -3.908860D-02
                  1.077000D+01          -9.346250D-02
                  4.119000D+00          -1.479940D-01
                  1.625000D+00           3.019040D-02
                  4.726000D-01           5.615730D-01
                  1.407000D-01           5.347760D-01
            P    1   1.00
                  1.407000D-01           1.000000D+00
            P    1   1.00
                  0.0399000              1.0000000
            D    1   1.00
                  4.790000D-01           1.0000000
            D    1   1.00
                  0.1520000              1.0000000
            ****
            -Cl     0
            S    12   1.00
                  1.279000D+05           2.411530D-04
                  1.917000D+04           1.870950D-03
                  4.363000D+03           9.708270D-03
                  1.236000D+03           3.931530D-02
                  4.036000D+02           1.259320D-01
                  1.457000D+02           2.993410D-01
                  5.681000D+01           4.218860D-01
                  2.323000D+01           2.372010D-01
                  6.644000D+00           1.915310D-02
                  2.575000D+00          -3.347920D-03
                  5.371000D-01           9.298830D-04
                  1.938000D-01          -3.963790D-04
            S    12   1.00
                  1.279000D+05          -6.789220D-05
                  1.917000D+04          -5.218360D-04
                  4.363000D+03          -2.765130D-03
                  1.236000D+03          -1.115370D-02
                  4.036000D+02          -3.859190D-02
                  1.457000D+02          -9.948480D-02
                  5.681000D+01          -2.013920D-01
                  2.323000D+01          -1.303130D-01
                  6.644000D+00           5.094430D-01
                  2.575000D+00           6.107250D-01
                  5.371000D-01           4.215490D-02
                  1.938000D-01          -9.234270D-03
            S    12   1.00
                  1.279000D+05           2.049860D-05
                  1.917000D+04           1.582980D-04
                  4.363000D+03           8.336390D-04
                  1.236000D+03           3.398800D-03
                  4.036000D+02           1.167380D-02
                  1.457000D+02           3.096220D-02
                  5.681000D+01           6.295330D-02
                  2.323000D+01           4.602570D-02
                  6.644000D+00          -2.193120D-01
                  2.575000D+00          -4.087730D-01
                  5.371000D-01           6.384650D-01
                  1.938000D-01           5.623620D-01
            S    1   1.00
                  1.938000D-01           1.000000D+00
            S    1   1.00
                  0.0608000              1.0000000
            P    8   1.00
                  4.176000D+02           5.259820D-03
                  9.833000D+01           3.983320D-02
                  3.104000D+01           1.646550D-01
                  1.119000D+01           3.873220D-01
                  4.249000D+00           4.570720D-01
                  1.624000D+00           1.516360D-01
                  5.322000D-01           1.816150D-03
                  1.620000D-01           1.882960D-03
            P    8   1.00
                  4.176000D+02          -1.435700D-03
                  9.833000D+01          -1.077960D-02
                  3.104000D+01          -4.700750D-02
                  1.119000D+01          -1.110300D-01
                  4.249000D+00          -1.532750D-01
                  1.624000D+00           8.946090D-02
                  5.322000D-01           5.794440D-01
                  1.620000D-01           4.832720D-01
            P    1   1.00
                  1.620000D-01           1.000000D+00
            P    1   1.00
                  0.0466000              1.0000000
            D    1   1.00
                  6.000000D-01           1.0000000
            D    1   1.00
                  0.1960000              1.0000000
            ****
            -Ar     0
            S    12   1.00
                  1.457000D+05           2.367000D-04
                  2.184000D+04           1.835230D-03
                  4.972000D+03           9.528600D-03
                  1.408000D+03           3.862830D-02
                  4.597000D+02           1.240810D-01
                  1.659000D+02           2.964710D-01
                  6.469000D+01           4.220680D-01
                  2.644000D+01           2.417110D-01
                  7.628000D+00           2.005090D-02
                  2.996000D+00          -3.610000D-03
                  6.504000D-01           9.756070D-04
                  2.337000D-01          -4.113160D-04
            S    12   1.00
                  1.457000D+05          -6.749100D-05
                  2.184000D+04          -5.185220D-04
                  4.972000D+03          -2.748250D-03
                  1.408000D+03          -1.110070D-02
                  4.597000D+02          -3.848200D-02
                  1.659000D+02          -9.975990D-02
                  6.469000D+01          -2.030880D-01
                  2.644000D+01          -1.356080D-01
                  7.628000D+00           5.071950D-01
                  2.996000D+00           6.128980D-01
                  6.504000D-01           4.429680D-02
                  2.337000D-01          -8.992780D-03
            S    12   1.00
                  1.457000D+05           2.104570D-05
                  2.184000D+04           1.625650D-04
                  4.972000D+03           8.554630D-04
                  1.408000D+03           3.497450D-03
                  4.597000D+02           1.201560D-02
                  1.659000D+02           3.213680D-02
                  6.469000D+01           6.552790D-02
                  2.644000D+01           4.993700D-02
                  7.628000D+00          -2.297690D-01
                  2.996000D+00          -4.210060D-01
                  6.504000D-01           6.423310D-01
                  2.337000D-01           5.675400D-01
            S    1   1.00
                  2.337000D-01           1.000000D+00
            S    1   1.00
                  0.0709000              1.0000000
            P    8   1.00
                  4.537000D+02           5.705550D-03
                  1.068000D+02           4.304600D-02
                  3.373000D+01           1.765910D-01
                  1.213000D+01           4.068630D-01
                  4.594000D+00           4.525490D-01
                  1.678000D+00           1.228010D-01
                  5.909000D-01          -4.459960D-03
                  1.852000D-01           2.052250D-03
            P    8   1.00
                  4.537000D+02          -1.606550D-03
                  1.068000D+02          -1.217140D-02
                  3.373000D+01          -5.207890D-02
                  1.213000D+01          -1.237370D-01
                  4.594000D+00          -1.516190D-01
                  1.678000D+00           1.424250D-01
                  5.909000D-01           5.845010D-01
                  1.852000D-01           4.375400D-01
            P    1   1.00
                  1.852000D-01           1.000000D+00
            P    1   1.00
                  0.0533000              1.0000000
            D    1   1.00
                  7.380000D-01           1.0000000
            D    1   1.00
                  0.2400000              1.0000000
            ****
            -Sc     0
            S    20   1.00
                  2.715278D+06           8.147221D-06
                  4.065984D+05           6.334788D-05
                  9.253004D+04           3.330384D-04
                  2.620792D+04           1.404055D-03
                  8.549429D+03           5.081725D-03
                  3.085975D+03           1.626926D-02
                  1.203172D+03           4.624577D-02
                  4.984869D+02           1.137223D-01
                  2.167360D+02           2.257636D-01
                  9.787476D+01           3.106700D-01
                  4.520433D+01           2.191906D-01
                  2.021187D+01           7.215879D-02
                  9.574751D+00           1.187030D-01
                  4.540346D+00           1.220532D-01
                  1.995687D+00           2.136795D-02
                  9.422150D-01          -5.357246D-04
                  4.178450D-01           2.435774D-04
                  9.576100D-02          -8.796617D-05
                  5.135100D-02           7.878246D-05
                  2.387800D-02          -1.637155D-05
            S    20   1.00
                  2.715278D+06          -4.722109D-06
                  4.065984D+05          -3.671829D-05
                  9.253004D+04          -1.930883D-04
                  2.620792D+04          -8.146870D-04
                  8.549429D+03          -2.955526D-03
                  3.085975D+03          -9.520035D-03
                  1.203172D+03          -2.746858D-02
                  4.984869D+02          -6.991528D-02
                  2.167360D+02          -1.499251D-01
                  9.787476D+01          -2.459153D-01
                  4.520433D+01          -2.401293D-01
                  2.021187D+01           3.567987D-02
                  9.574751D+00           4.915023D-01
                  4.540346D+00           4.911381D-01
                  1.995687D+00           9.120633D-02
                  9.422150D-01          -5.356723D-03
                  4.178450D-01           8.812836D-04
                  9.576100D-02          -7.605536D-04
                  5.135100D-02           6.340116D-04
                  2.387800D-02          -1.556163D-04
            S    20   1.00
                  2.715278D+06           9.139905D-07
                  4.065984D+05           7.108513D-06
                  9.253004D+04           3.738126D-05
                  2.620792D+04           1.578828D-04
                  8.549429D+03           5.737686D-04
                  3.085975D+03           1.859244D-03
                  1.203172D+03           5.433182D-03
                  4.984869D+02           1.425387D-02
                  2.167360D+02           3.246144D-02
                  9.787476D+01           6.003454D-02
                  4.520433D+01           6.916105D-02
                  2.021187D+01          -2.113084D-02
                  9.574751D+00          -2.666832D-01
                  4.540346D+00          -4.367591D-01
                  1.995687D+00           6.498243D-02
                  9.422150D-01           7.009599D-01
                  4.178450D-01           4.515562D-01
                  9.576100D-02           3.011910D-02
                  5.135100D-02          -1.329480D-02
                  2.387800D-02           4.633679D-03
            S    20   1.00
                  2.715278D+06          -2.201951D-07
                  4.065984D+05          -1.711419D-06
                  9.253004D+04          -9.008469D-06
                  2.620792D+04          -3.799997D-05
                  8.549429D+03          -1.383227D-04
                  3.085975D+03          -4.473692D-04
                  1.203172D+03          -1.310691D-03
                  4.984869D+02          -3.429860D-03
                  2.167360D+02          -7.847579D-03
                  9.787476D+01          -1.447189D-02
                  4.520433D+01          -1.690669D-02
                  2.021187D+01           5.396115D-03
                  9.574751D+00           6.671062D-02
                  4.540346D+00           1.178356D-01
                  1.995687D+00          -2.738134D-02
                  9.422150D-01          -2.260149D-01
                  4.178450D-01          -3.073539D-01
                  9.576100D-02           2.544054D-01
                  5.135100D-02           5.981590D-01
                  2.387800D-02           3.115202D-01
            S    20   1.00
                  2.715278D+06          -3.757238D-07
                  4.065984D+05          -2.981907D-06
                  9.253004D+04          -1.522586D-05
                  2.620792D+04          -6.684686D-05
                  8.549429D+03          -2.313129D-04
                  3.085975D+03          -7.959729D-04
                  1.203172D+03          -2.161961D-03
                  4.984869D+02          -6.206459D-03
                  2.167360D+02          -1.261905D-02
                  9.787476D+01          -2.739459D-02
                  4.520433D+01          -2.336516D-02
                  2.021187D+01          -5.734627D-03
                  9.574751D+00           1.536025D-01
                  4.540346D+00           1.447100D-01
                  1.995687D+00           9.359699D-02
                  9.422150D-01          -8.687730D-01
                  4.178450D-01           2.114597D-02
                  9.576100D-02           2.275498D+00
                  5.135100D-02          -1.190770D+00
                  2.387800D-02          -7.674257D-01
            S    1   1.00
                  2.387800D-02           1.000000D+00
            S    1   1.00
                  1.110000D-02           1.000000D+00
            P    16   1.00
                  1.059219D+04           4.500000D-05
                  2.507533D+03           4.010000D-04
                  8.144571D+02           2.302000D-03
                  3.115195D+02           1.003700D-02
                  1.319617D+02           3.495400D-02
                  5.998718D+01           9.790900D-02
                  2.866250D+01           2.106800D-01
                  1.410851D+01           3.300930D-01
                  7.103706D+00           3.310270D-01
                  3.609200D+00           1.579600D-01
                  1.776070D+00           2.209900D-02
                  8.547600D-01          -1.605000D-03
                  4.022390D-01          -1.326000D-03
                  1.546650D-01          -2.800000D-04
                  6.494500D-02           3.400000D-05
                  2.635900D-02          -1.300000D-05
            P    16   1.00
                  1.059219D+04          -1.500000D-05
                  2.507533D+03          -1.310000D-04
                  8.144571D+02          -7.570000D-04
                  3.115195D+02          -3.318000D-03
                  1.319617D+02          -1.170600D-02
                  5.998718D+01          -3.360400D-02
                  2.866250D+01          -7.487900D-02
                  1.410851D+01          -1.225480D-01
                  7.103706D+00          -1.302760D-01
                  3.609200D+00           1.459600D-02
                  1.776070D+00           3.091840D-01
                  8.547600D-01           4.629980D-01
                  4.022390D-01           3.049570D-01
                  1.546650D-01           5.087800D-02
                  6.494500D-02          -4.493000D-03
                  2.635900D-02           1.832000D-03
            P    16   1.00
                  1.059219D+04          -4.000000D-06
                  2.507533D+03          -3.200000D-05
                  8.144571D+02          -1.850000D-04
                  3.115195D+02          -8.080000D-04
                  1.319617D+02          -2.870000D-03
                  5.998718D+01          -8.207000D-03
                  2.866250D+01          -1.847300D-02
                  1.410851D+01          -3.010100D-02
                  7.103706D+00          -3.294300D-02
                  3.609200D+00           7.958000D-03
                  1.776070D+00           8.799300D-02
                  8.547600D-01           1.523770D-01
                  4.022390D-01           9.717000D-02
                  1.546650D-01          -2.569380D-01
                  6.494500D-02          -5.878150D-01
                  2.635900D-02          -3.054210D-01
            P    16   1.00
                  1.059219D+04           4.000000D-06
                  2.507533D+03           3.900000D-05
                  8.144571D+02           2.210000D-04
                  3.115195D+02           9.840000D-04
                  1.319617D+02           3.423000D-03
                  5.998718D+01           9.993000D-03
                  2.866250D+01           2.191600D-02
                  1.410851D+01           3.700800D-02
                  7.103706D+00           3.779400D-02
                  3.609200D+00          -4.379000D-03
                  1.776070D+00          -1.101640D-01
                  8.547600D-01          -1.610170D-01
                  4.022390D-01          -1.824820D-01
                  1.546650D-01           3.886110D-01
                  6.494500D-02           6.911000D-01
                  2.635900D-02           7.960400D-02
            P    1   1.00
                  2.635900D-02           1.000000D+00
            P    1   1.00
                  1.066000D-02           1.000000D+00
            D    8   1.00
                  5.051380D+01           4.266000D-03
                  1.474050D+01           2.770800D-02
                  5.195000D+00           1.000010D-01
                  2.028460D+00           2.315810D-01
                  8.040860D-01           3.460330D-01
                  3.076890D-01           3.733740D-01
                  1.113920D-01           2.642880D-01
                  3.735200D-02           6.366700D-02
            D    8   1.00
                  5.051380D+01          -4.389000D-03
                  1.474050D+01          -2.836300D-02
                  5.195000D+00          -1.051370D-01
                  2.028460D+00          -2.348540D-01
                  8.040860D-01          -3.246090D-01
                  3.076890D-01          -6.428900D-02
                  1.113920D-01           6.017490D-01
                  3.735200D-02           3.903000D-01
            D    1   1.00
                  3.735200D-02           1.000000D+00
            D    1   1.00
                  1.244000D-02           1.000000D+00
            F    2   1.00
                  7.126000D-01           3.617450D-01
                  1.636000D-01           8.218680D-01
            F    1   1.00
                  4.063000D-02           1.000000D+00
            ****
            -Ti     0
            S    20   1.00
                  3.014643D+06           8.060782D-06
                  4.514329D+05           6.267518D-05
                  1.027338D+05           3.295006D-04
                  2.909817D+04           1.389203D-03
                  9.492330D+03           5.028469D-03
                  3.426346D+03           1.610419D-02
                  1.335896D+03           4.581232D-02
                  5.535026D+02           1.128613D-01
                  2.406925D+02           2.248193D-01
                  1.087293D+02           3.114571D-01
                  5.026457D+01           2.224995D-01
                  2.258004D+01           7.293128D-02
                  1.071432D+01           1.160683D-01
                  5.093546D+00           1.194774D-01
                  2.244183D+00           2.097868D-02
                  1.059570D+00          -5.091715D-04
                  4.688490D-01           2.217859D-04
                  1.061430D-01          -7.636896D-05
                  5.526200D-02           7.719539D-05
                  2.546500D-02          -1.149056D-05
            S    20   1.00
                  3.014643D+06          -4.630486D-06
                  4.514329D+05          -3.600451D-05
                  1.027338D+05          -1.893420D-04
                  2.909817D+04          -7.988781D-04
                  9.492330D+03          -2.898698D-03
                  3.426346D+03          -9.339701D-03
                  1.335896D+03          -2.697464D-02
                  5.535026D+02          -6.878913D-02
                  2.406925D+02          -1.481037D-01
                  1.087293D+02          -2.445253D-01
                  5.026457D+01          -2.419916D-01
                  2.258004D+01           3.183790D-02
                  1.071432D+01           4.932686D-01
                  5.093546D+00           4.939655D-01
                  2.244183D+00           9.196313D-02
                  1.059570D+00          -5.316992D-03
                  4.688490D-01           8.085624D-04
                  1.061430D-01          -6.918459D-04
                  5.526200D-02           6.086512D-04
                  2.546500D-02          -1.313842D-04
            S    20   1.00
                  3.014643D+06           9.230559D-07
                  4.514329D+05           7.178974D-06
                  1.027338D+05           3.775134D-05
                  2.909817D+04           1.594532D-04
                  9.492330D+03           5.795150D-04
                  3.426346D+03           1.878414D-03
                  1.335896D+03           5.492747D-03
                  5.535026D+02           1.443297D-02
                  2.406925D+02           3.296408D-02
                  1.087293D+02           6.125493D-02
                  5.026457D+01           7.134113D-02
                  2.258004D+01          -1.973150D-02
                  1.071432D+01          -2.741869D-01
                  5.093546D+00          -4.440977D-01
                  2.244183D+00           7.776084D-02
                  1.059570D+00           7.068444D-01
                  4.688490D-01           4.413892D-01
                  1.061430D-01           2.799769D-02
                  5.526200D-02          -1.210790D-02
                  2.546500D-02           4.324762D-03
            S    20   1.00
                  3.014643D+06          -2.180323D-07
                  4.514329D+05          -1.694860D-06
                  1.027338D+05          -8.919208D-06
                  2.909817D+04          -3.763633D-05
                  9.492330D+03          -1.369575D-04
                  3.426346D+03          -4.432894D-04
                  1.335896D+03          -1.298868D-03
                  5.535026D+02          -3.406752D-03
                  2.406925D+02          -7.810829D-03
                  1.087293D+02          -1.449245D-02
                  5.026457D+01          -1.708136D-02
                  2.258004D+01           4.897666D-03
                  1.071432D+01           6.753108D-02
                  5.093546D+00           1.173318D-01
                  2.244183D+00          -2.985025D-02
                  1.059570D+00          -2.277634D-01
                  4.688490D-01          -2.928115D-01
                  1.061430D-01           2.665300D-01
                  5.526200D-02           5.912406D-01
                  2.546500D-02           3.037229D-01
            S    20   1.00
                  3.014643D+06          -3.975126D-07
                  4.514329D+05          -3.161080D-06
                  1.027338D+05          -1.609375D-05
                  2.909817D+04          -7.092947D-05
                  9.492330D+03          -2.442710D-04
                  3.426346D+03          -8.457892D-04
                  1.335896D+03          -2.282208D-03
                  5.535026D+02          -6.619873D-03
                  2.406925D+02          -1.335024D-02
                  1.087293D+02          -2.955830D-02
                  5.026457D+01          -2.477039D-02
                  2.258004D+01          -8.414624D-03
                  1.071432D+01           1.693855D-01
                  5.093546D+00           1.500787D-01
                  2.244183D+00           9.787777D-02
                  1.059570D+00          -9.653608D-01
                  4.688490D-01           1.489721D-01
                  1.061430D-01           2.191179D+00
                  5.526200D-02          -1.243325D+00
                  2.546500D-02          -6.711916D-01
            S    1   1.00
                  2.546500D-02           1.000000D+00
            S    1   1.00
                  1.173000D-02           1.000000D+00
            P    16   1.00
                  1.191203D+04           4.400000D-05
                  2.819947D+03           3.910000D-04
                  9.159479D+02           2.248000D-03
                  3.503842D+02           9.823000D-03
                  1.484825D+02           3.433800D-02
                  6.753944D+01           9.666600D-02
                  3.230332D+01           2.094170D-01
                  1.592786D+01           3.301890D-01
                  8.038035D+00           3.319360D-01
                  4.093916D+00           1.584880D-01
                  2.022390D+00           2.231000D-02
                  9.761020D-01          -1.566000D-03
                  4.595950D-01          -1.324000D-03
                  1.771520D-01          -2.710000D-04
                  7.351700D-02           3.200000D-05
                  2.940100D-02          -1.200000D-05
            P    16   1.00
                  1.191203D+04          -1.500000D-05
                  2.819947D+03          -1.310000D-04
                  9.159479D+02          -7.550000D-04
                  3.503842D+02          -3.319000D-03
                  1.484825D+02          -1.175000D-02
                  6.753944D+01          -3.392200D-02
                  3.230332D+01          -7.616400D-02
                  1.592786D+01          -1.257020D-01
                  8.038035D+00          -1.330980D-01
                  4.093916D+00           1.740600D-02
                  2.022390D+00           3.151650D-01
                  9.761020D-01           4.618140D-01
                  4.595950D-01           2.998560D-01
                  1.771520D-01           5.000000D-02
                  7.351700D-02          -4.230000D-03
                  2.940100D-02           1.725000D-03
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.100000D-05
                  9.159479D+02           1.820000D-04
                  3.503842D+02           7.950000D-04
                  1.484825D+02           2.833000D-03
                  6.753944D+01           8.154000D-03
                  3.230332D+01           1.847200D-02
                  1.592786D+01           3.040000D-02
                  8.038035D+00           3.304700D-02
                  4.093916D+00          -8.251000D-03
                  2.022390D+00          -8.855400D-02
                  9.761020D-01          -1.496120D-01
                  4.595950D-01          -9.422700D-02
                  1.771520D-01           2.508460D-01
                  7.351700D-02           5.866430D-01
                  2.940100D-02           3.135350D-01
            P    16   1.00
                  1.191203D+04           4.000000D-06
                  2.819947D+03           3.900000D-05
                  9.159479D+02           2.230000D-04
                  3.503842D+02           9.920000D-04
                  1.484825D+02           3.476000D-03
                  6.753944D+01           1.017200D-02
                  3.230332D+01           2.257600D-02
                  1.592786D+01           3.823800D-02
                  8.038035D+00           3.933700D-02
                  4.093916D+00          -6.106000D-03
                  2.022390D+00          -1.129620D-01
                  9.761020D-01          -1.681140D-01
                  4.595950D-01          -1.659320D-01
                  1.771520D-01           3.914030D-01
                  7.351700D-02           6.818400D-01
                  2.940100D-02           8.403100D-02
            P    1   1.00
                  2.940100D-02           1.000000D+00
            P    1   1.00
                  1.176000D-02           1.000000D+00
            D    8   1.00
                  6.401300D+01           3.887000D-03
                  1.881790D+01           2.639900D-02
                  6.728700D+00           9.751100D-02
                  2.664130D+00           2.328480D-01
                  1.078680D+00           3.531520D-01
                  4.232090D-01           3.721860D-01
                  1.559990D-01           2.476720D-01
                  5.188400D-02           5.823600D-02
            D    8   1.00
                  6.401300D+01          -3.970000D-03
                  1.881790D+01          -2.687300D-02
                  6.728700D+00          -1.022750D-01
                  2.664130D+00          -2.377280D-01
                  1.078680D+00          -3.121140D-01
                  4.232090D-01          -4.237800D-02
                  1.559990D-01           5.886580D-01
                  5.188400D-02           4.103020D-01
            D    1   1.00
                  5.188400D-02           1.000000D+00
            D    1   1.00
                  1.726000D-02           1.000000D+00
            F    2   1.00
                  1.227400D+00           3.581580D-01
                  2.788000D-01           8.257940D-01
            F    1   1.00
                  8.266000D-02           1.000000D+00
            ****
            -V     0
            S    20   1.00
                  3.321857D+06           8.039999D-06
                  4.974356D+05           6.251402D-05
                  1.132027D+05           3.286553D-04
                  3.206333D+04           1.385697D-03
                  1.045962D+04           5.016217D-03
                  3.775506D+03           1.606931D-02
                  1.472040D+03           4.574242D-02
                  6.099331D+02           1.128544D-01
                  2.652634D+02           2.254344D-01
                  1.198607D+02           3.140461D-01
                  5.544891D+01           2.267819D-01
                  2.498372D+01           7.334069D-02
                  1.188056D+01           1.102474D-01
                  5.660311D+00           1.131358D-01
                  2.495703D+00           1.971295D-02
                  1.177866D+00          -4.719088D-04
                  5.200440D-01           1.861606D-04
                  1.159650D-01          -6.208598D-05
                  5.893800D-02           7.295314D-05
                  2.694600D-02          -6.362062D-06
            S    20   1.00
                  3.321857D+06          -4.503003D-06
                  4.974356D+05          -3.501295D-05
                  1.132027D+05          -1.841339D-04
                  3.206333D+04          -7.769216D-04
                  1.045962D+04          -2.819505D-03
                  3.775506D+03          -9.087486D-03
                  1.472040D+03          -2.627134D-02
                  6.099331D+02          -6.712726D-02
                  2.652634D+02          -1.451130D-01
                  1.198607D+02          -2.412483D-01
                  5.544891D+01          -2.416314D-01
                  2.498372D+01           3.067362D-02
                  1.188056D+01           4.970415D-01
                  5.660311D+00           4.958875D-01
                  2.495703D+00           9.181868D-02
                  1.177866D+00          -5.392514D-03
                  5.200440D-01           7.102380D-04
                  1.159650D-01          -6.363128D-04
                  5.893800D-02           5.979932D-04
                  2.694600D-02          -1.100879D-04
            S    20   1.00
                  3.321857D+06           9.320648D-07
                  4.974356D+05           7.249306D-06
                  1.132027D+05           3.811967D-05
                  3.206333D+04           1.610238D-04
                  1.045962D+04           5.852210D-04
                  3.775506D+03           1.897502D-03
                  1.472040D+03           5.550909D-03
                  6.099331D+02           1.460584D-02
                  2.652634D+02           3.342974D-02
                  1.198607D+02           6.235722D-02
                  5.544891D+01           7.312435D-02
                  2.498372D+01          -1.911472D-02
                  1.188056D+01          -2.817249D-01
                  5.660311D+00          -4.488151D-01
                  2.495703D+00           9.202696D-02
                  1.177866D+00           7.110117D-01
                  5.200440D-01           4.309274D-01
                  1.159650D-01           2.604589D-02
                  5.893800D-02          -1.101049D-02
                  2.694600D-02           4.106300D-03
            S    20   1.00
                  3.321857D+06          -2.158944D-07
                  4.974356D+05          -1.678519D-06
                  1.132027D+05          -8.831213D-06
                  3.206333D+04          -3.727769D-05
                  1.045962D+04          -1.356099D-04
                  3.775506D+03          -4.392351D-04
                  1.472040D+03          -1.286948D-03
                  6.099331D+02          -3.382149D-03
                  2.652634D+02          -7.765646D-03
                  1.198607D+02          -1.447985D-02
                  5.544891D+01          -1.715502D-02
                  2.498372D+01           4.610101D-03
                  1.188056D+01           6.827831D-02
                  5.660311D+00           1.161368D-01
                  2.495703D+00          -3.277049D-02
                  1.177866D+00          -2.280000D-01
                  5.200440D-01          -2.793991D-01
                  1.159650D-01           2.771165D-01
                  5.893800D-02           5.852999D-01
                  2.694600D-02           2.963946D-01
            S    20   1.00
                  3.321857D+06          -4.093416D-07
                  4.974356D+05          -3.258956D-06
                  1.132027D+05          -1.656390D-05
                  3.206333D+04          -7.316689D-05
                  1.045962D+04          -2.512784D-04
                  3.775506D+03          -8.732657D-04
                  1.472040D+03          -2.347654D-03
                  6.099331D+02          -6.853150D-03
                  2.652634D+02          -1.376420D-02
                  1.198607D+02          -3.084679D-02
                  5.544891D+01          -2.562208D-02
                  2.498372D+01          -1.005123D-02
                  1.188056D+01           1.795330D-01
                  5.660311D+00           1.522400D-01
                  2.495703D+00           9.483887D-02
                  1.177866D+00          -1.014876D+00
                  5.200440D-01           2.308810D-01
                  1.159650D-01           2.113321D+00
                  5.893800D-02          -1.253048D+00
                  2.694600D-02          -6.139502D-01
            S    1   1.00
                  2.694600D-02           1.000000D+00
            S    1   1.00
                  1.232000D-02           1.000000D+00
            P    16   1.00
                  1.327320D+04           4.300000D-05
                  3.142126D+03           3.840000D-04
                  1.020588D+03           2.210000D-03
                  3.904407D+02           9.678000D-03
                  1.655043D+02           3.393600D-02
                  7.532006D+01           9.591700D-02
                  3.605503D+01           2.088530D-01
                  1.780436D+01           3.306600D-01
                  9.002929D+00           3.323120D-01
                  4.594544D+00           1.581880D-01
                  2.276760D+00           2.225200D-02
                  1.101178D+00          -1.565000D-03
                  5.186380D-01          -1.353000D-03
                  2.005650D-01          -2.650000D-04
                  8.129100D-02           2.900000D-05
                  3.179500D-02          -1.100000D-05
            P    16   1.00
                  1.327320D+04          -1.500000D-05
                  3.142126D+03          -1.310000D-04
                  1.020588D+03          -7.550000D-04
                  3.904407D+02          -3.325000D-03
                  1.655043D+02          -1.181100D-02
                  7.532006D+01          -3.425600D-02
                  3.605503D+01          -7.736300D-02
                  1.780436D+01          -1.284560D-01
                  9.002929D+00          -1.350780D-01
                  4.594544D+00           2.083800D-02
                  2.276760D+00           3.204990D-01
                  1.101178D+00           4.602600D-01
                  5.186380D-01           2.953460D-01
                  2.005650D-01           4.904600D-02
                  8.129100D-02          -3.824000D-03
                  3.179500D-02           1.585000D-03
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.200000D-05
                  1.020588D+03           1.830000D-04
                  3.904407D+02           8.020000D-04
                  1.655043D+02           2.862000D-03
                  7.532006D+01           8.287000D-03
                  3.605503D+01           1.887000D-02
                  1.780436D+01           3.130700D-02
                  9.002929D+00           3.366000D-02
                  4.594544D+00          -9.479000D-03
                  2.276760D+00          -9.231300D-02
                  1.101178D+00          -1.489890D-01
                  5.186380D-01          -8.364400D-02
                  2.005650D-01           2.493390D-01
                  8.129100D-02           5.805150D-01
                  3.179500D-02           3.223800D-01
            P    16   1.00
                  1.327320D+04           4.000000D-06
                  3.142126D+03           3.900000D-05
                  1.020588D+03           2.230000D-04
                  3.904407D+02           9.960000D-04
                  1.655043D+02           3.498000D-03
                  7.532006D+01           1.029600D-02
                  3.605503D+01           2.296200D-02
                  1.780436D+01           3.920800D-02
                  9.002929D+00           3.994300D-02
                  4.594544D+00          -7.121000D-03
                  2.276760D+00          -1.162250D-01
                  1.101178D+00          -1.694960D-01
                  5.186380D-01          -1.553740D-01
                  2.005650D-01           3.950220D-01
                  8.129100D-02           6.789080D-01
                  3.179500D-02           8.312200D-02
            P    1   1.00
                  3.179500D-02           1.000000D+00
            P    1   1.00
                  1.244000D-02           1.000000D+00
            D    8   1.00
                  7.761150D+01           3.595000D-03
                  2.291590D+01           2.521000D-02
                  8.279540D+00           9.478600D-02
                  3.309930D+00           2.303630D-01
                  1.358630D+00           3.528940D-01
                  5.413500D-01           3.704140D-01
                  2.023560D-01           2.457180D-01
                  6.756800D-02           6.099300D-02
            D    8   1.00
                  7.761150D+01          -3.818000D-03
                  2.291590D+01          -2.671700D-02
                  8.279540D+00          -1.036900D-01
                  3.309930D+00          -2.476890D-01
                  1.358630D+00          -3.115230D-01
                  5.413500D-01          -2.282700D-02
                  2.023560D-01           5.697260D-01
                  6.756800D-02           4.194930D-01
            D    1   1.00
                  6.756800D-02           1.000000D+00
            D    1   1.00
                  2.256000D-02           1.000000D+00
            F    2   1.00
                  1.748800D+00           3.900680D-01
                  4.057000D-01           8.008410D-01
            F    1   1.00
                  1.311200D-01           1.000000D+00
            ****
            -Cr     0
            S    20   1.00
                  6.177194D+06           4.128667D-06
                  9.249295D+05           3.210767D-05
                  2.104865D+05           1.688416D-04
                  5.962005D+04           7.128520D-04
                  1.945076D+04           2.589325D-03
                  7.022056D+03           8.377350D-03
                  2.738763D+03           2.441725D-02
                  1.135814D+03           6.365135D-02
                  4.950923D+02           1.427618D-01
                  2.247487D+02           2.541275D-01
                  1.053836D+02           3.009512D-01
                  5.019359D+01           1.766513D-01
                  2.224957D+01           6.936709D-02
                  1.098265D+01           1.179579D-01
                  5.383665D+00           8.916187D-02
                  2.343685D+00           1.103630D-02
                  1.105202D+00          -3.546048D-04
                  4.878480D-01           1.057311D-04
                  8.959900D-02           1.114640D-05
                  3.342300D-02           2.661387D-05
            S    20   1.00
                  6.177194D+06          -2.301772D-06
                  9.249295D+05          -1.789536D-05
                  2.104865D+05          -9.416174D-05
                  5.962005D+04          -3.975074D-04
                  1.945076D+04          -1.447025D-03
                  7.022056D+03          -4.694622D-03
                  2.738763D+03          -1.382387D-02
                  1.135814D+03          -3.674643D-02
                  4.950923D+02          -8.647185D-02
                  2.247487D+02          -1.696735D-01
                  1.053836D+02          -2.507089D-01
                  5.019359D+01          -1.961156D-01
                  2.224957D+01           1.457244D-01
                  1.098265D+01           5.466706D-01
                  5.383665D+00           3.979434D-01
                  2.343685D+00           5.277007D-02
                  1.105202D+00          -4.374537D-03
                  4.878480D-01           3.204035D-04
                  8.959900D-02          -5.142077D-05
                  3.342300D-02           1.584134D-04
            S    20   1.00
                  6.177194D+06           4.862957D-07
                  9.249295D+05           3.776645D-06
                  2.104865D+05           1.990664D-05
                  5.962005D+04           8.389164D-05
                  1.945076D+04           3.065706D-04
                  7.022056D+03           9.944107D-04
                  2.738763D+03           2.961959D-03
                  1.135814D+03           7.969473D-03
                  4.950923D+02           1.955017D-02
                  2.247487D+02           4.085035D-02
                  1.053836D+02           6.929003D-02
                  5.019359D+01           6.146984D-02
                  2.224957D+01          -6.981302D-02
                  1.098265D+01          -3.517597D-01
                  5.383665D+00          -3.828629D-01
                  2.343685D+00           2.676401D-01
                  1.105202D+00           7.175950D-01
                  4.878480D-01           3.020814D-01
                  8.959900D-02           7.749514D-03
                  3.342300D-02           2.696096D-04
            S    20   1.00
                  6.177194D+06          -1.102451D-07
                  9.249295D+05          -8.530233D-07
                  2.104865D+05          -4.520358D-06
                  5.962005D+04          -1.891612D-05
                  1.945076D+04          -6.974344D-05
                  7.022056D+03          -2.237867D-04
                  2.738763D+03          -6.754503D-04
                  1.135814D+03          -1.789346D-03
                  4.950923D+02          -4.477858D-03
                  2.247487D+02          -9.140144D-03
                  1.053836D+02          -1.610562D-02
                  5.019359D+01          -1.334870D-02
                  2.224957D+01           1.426027D-02
                  1.098265D+01           8.931690D-02
                  5.383665D+00           8.885279D-02
                  2.343685D+00          -6.368776D-02
                  1.105202D+00          -2.783262D-01
                  4.878480D-01          -1.830071D-01
                  8.959900D-02           6.790937D-01
                  3.342300D-02           4.672953D-01
            S    20   1.00
                  6.177194D+06           2.179893D-07
                  9.249295D+05           1.612940D-06
                  2.104865D+05           9.111842D-06
                  5.962005D+04           3.500645D-05
                  1.945076D+04           1.435315D-04
                  7.022056D+03           4.035896D-04
                  2.738763D+03           1.425177D-03
                  1.135814D+03           3.114009D-03
                  4.950923D+02           9.814449D-03
                  2.247487D+02           1.474698D-02
                  1.053836D+02           3.911512D-02
                  5.019359D+01           9.170888D-03
                  2.224957D+01           1.559878D-02
                  1.098265D+01          -2.816844D-01
                  5.383665D+00          -6.895261D-03
                  2.343685D+00          -1.769781D-01
                  1.105202D+00           1.443061D+00
                  4.878480D-01          -1.029318D+00
                  8.959900D-02          -1.307667D+00
                  3.342300D-02           1.503842D+00
            S    1   1.00
                  3.342300D-02           1.000000D+00
            S    1   1.00
                  1.247000D-02           1.000000D+00
            P    16   1.00
                  1.445420D+04           4.400000D-05
                  3.421676D+03           3.890000D-04
                  1.111387D+03           2.241000D-03
                  4.251918D+02           9.821000D-03
                  1.802623D+02           3.447100D-02
                  8.206117D+01           9.746000D-02
                  3.929726D+01           2.119850D-01
                  1.941959D+01           3.339900D-01
                  9.828899D+00           3.301370D-01
                  5.016810D+00           1.522270D-01
                  2.487091D+00           2.042500D-02
                  1.198780D+00          -1.360000D-03
                  5.586950D-01          -1.195000D-03
                  2.089240D-01          -1.970000D-04
                  8.460800D-02           2.300000D-05
                  3.325800D-02          -9.000000D-06
            P    16   1.00
                  1.445420D+04          -1.500000D-05
                  3.421676D+03          -1.350000D-04
                  1.111387D+03          -7.770000D-04
                  4.251918D+02          -3.427000D-03
                  1.802623D+02          -1.218900D-02
                  8.206117D+01          -3.538800D-02
                  3.929726D+01          -7.991500D-02
                  1.941959D+01          -1.323350D-01
                  9.828899D+00          -1.354010D-01
                  5.016810D+00           3.200800D-02
                  2.487091D+00           3.338490D-01
                  1.198780D+00           4.617730D-01
                  5.586950D-01           2.812900D-01
                  2.089240D-01           4.184300D-02
                  8.460800D-02          -4.002000D-03
                  3.325800D-02           1.521000D-03
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           3.200000D-05
                  1.111387D+03           1.850000D-04
                  4.251918D+02           8.100000D-04
                  1.802623D+02           2.906000D-03
                  8.206117D+01           8.391000D-03
                  3.929726D+01           1.919300D-02
                  1.941959D+01           3.156400D-02
                  9.828899D+00           3.341700D-02
                  5.016810D+00          -1.290700D-02
                  2.487091D+00          -9.365900D-02
                  1.198780D+00          -1.499770D-01
                  5.586950D-01          -6.723400D-02
                  2.089240D-01           2.707590D-01
                  8.460800D-02           5.758070D-01
                  3.325800D-02           3.011210D-01
            P    16   1.00
                  1.445420D+04           4.000000D-06
                  3.421676D+03           4.000000D-05
                  1.111387D+03           2.290000D-04
                  4.251918D+02           1.019000D-03
                  1.802623D+02           3.602000D-03
                  8.206117D+01           1.055000D-02
                  3.929726D+01           2.370200D-02
                  1.941959D+01           3.998800D-02
                  9.828899D+00           4.043700D-02
                  5.016810D+00          -1.207400D-02
                  2.487091D+00          -1.189390D-01
                  1.198780D+00          -1.781000D-01
                  5.586950D-01          -1.238650D-01
                  2.089240D-01           4.297220D-01
                  8.460800D-02           6.507860D-01
                  3.325800D-02           6.417100D-02
            P    1   1.00
                  3.325800D-02           1.000000D+00
            P    1   1.00
                  1.307000D-02           1.000000D+00
            D    8   1.00
                  8.857680D+01           3.621000D-03
                  2.620450D+01           2.576600D-02
                  9.517470D+00           9.755600D-02
                  3.822480D+00           2.363120D-01
                  1.575120D+00           3.582860D-01
                  6.289280D-01           3.685430D-01
                  2.344240D-01           2.354940D-01
                  7.681500D-02           5.315600D-02
            D    8   1.00
                  8.857680D+01          -4.122000D-03
                  2.620450D+01          -2.930700D-02
                  9.517470D+00          -1.150620D-01
                  3.822480D+00          -2.730680D-01
                  1.575120D+00          -3.144230D-01
                  6.289280D-01           4.209700D-02
                  2.344240D-01           5.914030D-01
                  7.681500D-02           3.582150D-01
            D    1   1.00
                  7.681500D-02           1.000000D+00
            D    1   1.00
                  2.517000D-02           1.000000D+00
            F    2   1.00
                  2.221100D+00           4.235450D-01
                  5.231000D-01           7.741140D-01
            F    1   1.00
                  1.763600D-01           1.000000D+00
            ****
            -Mn     0
            S    20   1.00
                  3.960805D+06           8.242127D-06
                  5.931155D+05           6.408587D-05
                  1.349768D+05           3.369253D-04
                  3.823067D+04           1.420648D-03
                  1.247154D+04           5.143683D-03
                  4.501743D+03           1.648569D-02
                  1.755212D+03           4.698560D-02
                  7.273039D+02           1.162437D-01
                  3.163678D+02           2.335277D-01
                  1.430098D+02           3.292837D-01
                  6.621805D+01           2.440304D-01
                  2.991896D+01           7.219806D-02
                  1.430318D+01           7.687806D-02
                  6.839451D+00           7.852235D-02
                  3.012374D+00           1.294109D-02
                  1.418808D+00          -3.784873D-04
                  6.236240D-01          -2.503203D-05
                  1.340980D-01          -2.421517D-05
                  6.554800D-02           3.462071D-05
                  2.958400D-02           4.261482D-07
            S    20   1.00
                  3.960805D+06          -3.936095D-06
                  5.931155D+05          -3.060481D-05
                  1.349768D+05          -1.609626D-04
                  3.823067D+04          -6.792348D-04
                  1.247154D+04          -2.466182D-03
                  4.501743D+03          -7.957629D-03
                  1.755212D+03          -2.307248D-02
                  7.273039D+02          -5.932956D-02
                  3.163678D+02          -1.299451D-01
                  1.430098D+02          -2.212352D-01
                  6.621805D+01          -2.292550D-01
                  2.991896D+01           3.580733D-02
                  1.430318D+01           5.107602D-01
                  6.839451D+00           5.008307D-01
                  3.012374D+00           9.011830D-02
                  1.418808D+00          -6.909909D-03
                  6.236240D-01          -1.912925D-04
                  1.340980D-01          -6.032312D-04
                  6.554800D-02           5.621608D-04
                  2.958400D-02          -1.021109D-04
            S    20   1.00
                  3.960805D+06           9.462709D-07
                  5.931155D+05           7.360584D-06
                  1.349768D+05           3.869935D-05
                  3.823067D+04           1.635110D-04
                  1.247154D+04           5.941775D-04
                  4.501743D+03           1.927737D-03
                  1.755212D+03           5.641731D-03
                  7.273039D+02           1.487848D-02
                  3.163678D+02           3.414783D-02
                  1.430098D+02           6.405794D-02
                  6.621805D+01           7.557659D-02
                  2.991896D+01          -1.946070D-02
                  1.430318D+01          -2.957874D-01
                  6.839451D+00          -4.521170D-01
                  3.012374D+00           1.224531D-01
                  1.418808D+00           7.169756D-01
                  6.236240D-01           4.092712D-01
                  1.340980D-01           2.221969D-02
                  6.554800D-02          -9.011202D-03
                  2.958400D-02           3.691727D-03
            S    20   1.00
                  3.960805D+06          -2.095391D-07
                  5.931155D+05          -1.629439D-06
                  1.349768D+05          -8.570592D-06
                  3.823067D+04          -3.619272D-05
                  1.247154D+04          -1.316146D-04
                  4.501743D+03          -4.266810D-04
                  1.755212D+03          -1.250270D-03
                  7.273039D+02          -3.294665D-03
                  3.163678D+02          -7.581860D-03
                  1.430098D+02          -1.422864D-02
                  6.621805D+01          -1.693796D-02
                  2.991896D+01           4.454298D-03
                  1.430318D+01           6.867042D-02
                  6.839451D+00           1.113335D-01
                  3.012374D+00          -3.900820D-02
                  1.418808D+00          -2.215755D-01
                  6.236240D-01          -2.544359D-01
                  1.340980D-01           2.865866D-01
                  6.554800D-02           5.755741D-01
                  2.958400D-02           2.898778D-01
            S    20   1.00
                  3.960805D+06          -4.121231D-07
                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
                  3.823067D+04          -7.369999D-05
                  1.247154D+04          -2.529495D-04
                  4.501743D+03          -8.801425D-04
                  1.755212D+03          -2.365482D-03
                  7.273039D+02          -6.926354D-03
                  3.163678D+02          -1.393851D-02
                  1.430098D+02          -3.143840D-02
                  6.621805D+01          -2.625749D-02
                  2.991896D+01          -1.048313D-02
                  1.430318D+01           1.856472D-01
                  6.839451D+00           1.524839D-01
                  3.012374D+00           7.411368D-02
                  1.418808D+00          -1.018097D+00
                  6.236240D-01           2.980372D-01
                  1.340980D-01           1.971989D+00
                  6.554800D-02          -1.179253D+00
                  2.958400D-02          -5.837703D-01
            S    1   1.00
                  2.958400D-02           1.000000D+00
            S    1   1.00
                  1.335000D-02           1.000000D+00
            P    16   1.00
                  1.620586D+04           4.200000D-05
                  3.836274D+03           3.730000D-04
                  1.246048D+03           2.149000D-03
                  4.767535D+02           9.445000D-03
                  2.021895D+02           3.329700D-02
                  9.209487D+01           9.475900D-02
                  4.414720D+01           2.081440D-01
                  2.185468D+01           3.318050D-01
                  1.108596D+01           3.331750D-01
                  5.674108D+00           1.576010D-01
                  2.823170D+00           2.144500D-02
                  1.368621D+00          -2.558000D-03
                  6.444310D-01          -2.027000D-03
                  2.483820D-01          -3.600000D-04
                  9.725500D-02           3.400000D-05
                  3.663300D-02          -1.300000D-05
            P    16   1.00
                  1.620586D+04          -1.500000D-05
                  3.836274D+03          -1.290000D-04
                  1.246048D+03          -7.480000D-04
                  4.767535D+02          -3.308000D-03
                  2.021895D+02          -1.181100D-02
                  9.209487D+01          -3.453300D-02
                  4.414720D+01          -7.878500D-02
                  2.185468D+01          -1.321830D-01
                  1.108596D+01          -1.371950D-01
                  5.674108D+00           2.707500D-02
                  2.823170D+00           3.288910D-01
                  1.368621D+00           4.572800D-01
                  6.444310D-01           2.889080D-01
                  2.483820D-01           4.743300D-02
                  9.725500D-02          -3.522000D-03
                  3.663300D-02           1.456000D-03
            P    16   1.00
                  1.620586D+04           3.000000D-06
                  3.836274D+03           3.000000D-05
                  1.246048D+03           1.720000D-04
                  4.767535D+02           7.620000D-04
                  2.021895D+02           2.726000D-03
                  9.209487D+01           7.976000D-03
                  4.414720D+01           1.828700D-02
                  2.185468D+01           3.077600D-02
                  1.108596D+01           3.237300D-02
                  5.674108D+00          -9.978000D-03
                  2.823170D+00          -9.052900D-02
                  1.368621D+00          -1.380040D-01
                  6.444310D-01          -7.796500D-02
                  2.483820D-01           2.295600D-01
                  9.725500D-02           5.761220D-01
                  3.663300D-02           3.485380D-01
            P    16   1.00
                  1.620586D+04           4.000000D-06
                  3.836274D+03           4.000000D-05
                  1.246048D+03           2.260000D-04
                  4.767535D+02           1.013000D-03
                  2.021895D+02           3.575000D-03
                  9.209487D+01           1.061200D-02
                  4.414720D+01           2.390200D-02
                  2.185468D+01           4.127900D-02
                  1.108596D+01           4.147500D-02
                  5.674108D+00          -9.458000D-03
                  2.823170D+00          -1.236950D-01
                  1.368621D+00          -1.743920D-01
                  6.444310D-01          -1.291700D-01
                  2.483820D-01           4.003480D-01
                  9.725500D-02           6.696460D-01
                  3.663300D-02           8.273200D-02
            P    1   1.00
                  3.663300D-02           1.000000D+00
            P    1   1.00
                  1.380000D-02           1.000000D+00
            D    8   1.00
                  1.006630D+02           3.579000D-03
                  2.983360D+01           2.582700D-02
                  1.088940D+01           9.855900D-02
                  4.393580D+00           2.383270D-01
                  1.817820D+00           3.587070D-01
                  7.278270D-01           3.650920D-01
                  2.712950D-01           2.337380D-01
                  8.830900D-02           5.661800D-02
            D    8   1.00
                  1.006630D+02          -3.454000D-03
                  2.983360D+01          -2.492500D-02
                  1.088940D+01          -9.763500D-02
                  4.393580D+00          -2.366920D-01
                  1.817820D+00          -2.923500D-01
                  7.278270D-01          -4.973000D-03
                  2.712950D-01           5.065880D-01
                  8.830900D-02           4.979510D-01
            D    1   1.00
                  8.830900D-02           1.000000D+00
            D    1   1.00
                  2.875000D-02           1.000000D+00
            F    2   1.00
                  2.703200D+00           4.267760D-01
                  6.438000D-01           7.697990D-01
            F    1   1.00
                  2.226000D-01           1.000000D+00
            ****
            -Fe     0
            S    20   1.00
                  4.316265D+06           8.048803D-06
                  6.463424D+05           6.258306D-05
                  1.470897D+05           3.290239D-04
                  4.166152D+04           1.387355D-03
                  1.359077D+04           5.023256D-03
                  4.905750D+03           1.610140D-02
                  1.912746D+03           4.590034D-02
                  7.926043D+02           1.136154D-01
                  3.448065D+02           2.283869D-01
                  1.558999D+02           3.221159D-01
                  7.223091D+01           2.383661D-01
                  3.272506D+01           7.404667D-02
                  1.566762D+01           9.214197D-02
                  7.503483D+00           9.339790D-02
                  3.312223D+00           1.573965D-02
                  1.558471D+00          -4.186682D-04
                  6.839140D-01           5.376318D-05
                  1.467570D-01          -3.816654D-05
                  7.058300D-02           4.319603D-05
                  3.144900D-02          -3.401019D-06
            S    20   1.00
                  4.316265D+06          -4.155954D-06
                  6.463424D+05          -3.231401D-05
                  1.470897D+05          -1.699525D-04
                  4.166152D+04          -7.171369D-04
                  1.359077D+04          -2.603625D-03
                  4.905750D+03          -8.399109D-03
                  1.912746D+03          -2.434109D-02
                  7.926043D+02          -6.251948D-02
                  3.448065D+02          -1.365929D-01
                  1.558999D+02          -2.312707D-01
                  7.223091D+01          -2.383734D-01
                  3.272506D+01           3.123837D-02
                  1.566762D+01           5.086818D-01
                  7.503483D+00           4.987695D-01
                  3.312223D+00           9.033552D-02
                  1.558471D+00          -6.005337D-03
                  6.839140D-01           2.312454D-04
                  1.467570D-01          -5.643680D-04
                  7.058300D-02           4.992260D-04
                  3.144900D-02          -1.015293D-04
            S    20   1.00
                  4.316265D+06           9.532178D-07
                  6.463424D+05           7.414605D-06
                  1.470897D+05           3.898393D-05
                  4.166152D+04           1.647152D-04
                  1.359077D+04           5.985980D-04
                  4.905750D+03           1.942390D-03
                  1.912746D+03           5.687237D-03
                  7.926043D+02           1.501329D-02
                  3.448065D+02           3.452455D-02
                  1.558999D+02           6.495820D-02
                  7.223091D+01           7.716194D-02
                  3.272506D+01          -1.873411D-02
                  1.566762D+01          -3.009185D-01
                  7.503483D+00          -4.554661D-01
                  3.312223D+00           1.286463D-01
                  1.558471D+00           7.183316D-01
                  6.839140D-01           4.051743D-01
                  1.467570D-01           2.168227D-02
                  7.058300D-02          -8.343566D-03
                  3.144900D-02           3.658979D-03
            S    20   1.00
                  4.316265D+06          -2.063008D-07
                  6.463424D+05          -1.604169D-06
                  1.470897D+05          -8.438437D-06
                  4.166152D+04          -3.563151D-05
                  1.359077D+04          -1.295998D-04
                  4.905750D+03          -4.201534D-04
                  1.912746D+03          -1.231954D-03
                  7.926043D+02          -3.248922D-03
                  3.448065D+02          -7.493717D-03
                  1.558999D+02          -1.410102D-02
                  7.223091D+01          -1.691600D-02
                  3.272506D+01           4.218996D-03
                  1.566762D+01           6.833810D-02
                  7.503483D+00           1.098201D-01
                  3.312223D+00          -4.009005D-02
                  1.558471D+00          -2.174739D-01
                  6.839140D-01          -2.465135D-01
                  1.467570D-01           2.731435D-01
                  7.058300D-02           5.748321D-01
                  3.144900D-02           3.012713D-01
            S    20   1.00
                  4.316265D+06          -4.009367D-07
                  6.463424D+05          -3.189255D-06
                  1.470897D+05          -1.623079D-05
                  4.166152D+04          -7.157920D-05
                  1.359077D+04          -2.463958D-04
                  4.905750D+03          -8.544907D-04
                  1.912746D+03          -2.307593D-03
                  7.926043D+02          -6.728292D-03
                  3.448065D+02          -1.366165D-02
                  1.558999D+02          -3.062240D-02
                  7.223091D+01          -2.631137D-02
                  3.272506D+01          -9.760183D-03
                  1.566762D+01           1.801906D-01
                  7.503483D+00           1.529634D-01
                  3.312223D+00           5.505413D-02
                  1.558471D+00          -9.551364D-01
                  6.839140D-01           2.586813D-01
                  1.467570D-01           1.834049D+00
                  7.058300D-02          -9.333240D-01
                  3.144900D-02          -6.981605D-01
            S    1   1.00
                  3.144900D-02           1.000000D+00
            S    1   1.00
                  1.401000D-02           1.000000D+00
            P    16   1.00
                  1.774569D+04           4.100000D-05
                  4.200721D+03           3.690000D-04
                  1.364429D+03           2.129000D-03
                  5.220806D+02           9.369000D-03
                  2.214595D+02           3.309700D-02
                  1.009096D+02           9.443100D-02
                  4.840115D+01           2.080770D-01
                  2.398536D+01           3.323330D-01
                  1.218250D+01           3.329870D-01
                  6.242298D+00           1.568430D-01
                  3.110944D+00           2.154900D-02
                  1.509958D+00          -2.095000D-03
                  7.108450D-01          -1.739000D-03
                  2.731900D-01          -3.000000D-04
                  1.042330D-01           2.900000D-05
                  3.829100D-02          -1.100000D-05
            P    16   1.00
                  1.774569D+04          -1.500000D-05
                  4.200721D+03          -1.300000D-04
                  1.364429D+03          -7.510000D-04
                  5.220806D+02          -3.329000D-03
                  2.214595D+02          -1.191200D-02
                  1.009096D+02          -3.493300D-02
                  4.840115D+01          -7.998900D-02
                  2.398536D+01          -1.346360D-01
                  1.218250D+01          -1.385980D-01
                  6.242298D+00           3.027800D-02
                  3.110944D+00           3.332160D-01
                  1.509958D+00           4.561530D-01
                  7.108450D-01           2.850510D-01
                  2.731900D-01           4.614400D-02
                  1.042330D-01          -3.249000D-03
                  3.829100D-02           1.357000D-03
            P    16   1.00
                  1.774569D+04           3.000000D-06
                  4.200721D+03           2.900000D-05
                  1.364429D+03           1.650000D-04
                  5.220806D+02           7.340000D-04
                  2.214595D+02           2.626000D-03
                  1.009096D+02           7.725000D-03
                  4.840115D+01           1.773300D-02
                  2.398536D+01           3.005500D-02
                  1.218250D+01           3.109400D-02
                  6.242298D+00          -1.004800D-02
                  3.110944D+00          -8.830600D-02
                  1.509958D+00          -1.298240D-01
                  7.108450D-01          -7.693700D-02
                  2.731900D-01           2.126610D-01
                  1.042330D-01           5.730610D-01
                  3.829100D-02           3.696510D-01
            P    16   1.00
                  1.774569D+04           5.000000D-06
                  4.200721D+03           4.200000D-05
                  1.364429D+03           2.410000D-04
                  5.220806D+02           1.085000D-03
                  2.214595D+02           3.831000D-03
                  1.009096D+02           1.142300D-02
                  4.840115D+01           2.579200D-02
                  2.398536D+01           4.481800D-02
                  1.218250D+01           4.459800D-02
                  6.242298D+00          -1.117700D-02
                  3.110944D+00          -1.381340D-01
                  1.509958D+00          -1.882850D-01
                  7.108450D-01          -1.073990D-01
                  2.731900D-01           4.448630D-01
                  1.042330D-01           6.402390D-01
                  3.829100D-02           6.445700D-02
            P    1   1.00
                  3.829100D-02           1.000000D+00
            P    1   1.00
                  1.407000D-02           1.000000D+00
            D    8   1.00
                  1.133440D+02           3.530000D-03
                  3.364140D+01           2.578400D-02
                  1.233100D+01           9.911900D-02
                  4.994780D+00           2.390730D-01
                  2.072800D+00           3.571990D-01
                  8.307530D-01           3.621880D-01
                  3.091780D-01           2.364610D-01
                  1.001300D-01           6.011800D-02
            D    8   1.00
                  1.133440D+02          -3.890000D-03
                  3.364140D+01          -2.844200D-02
                  1.233100D+01          -1.124290D-01
                  4.994780D+00          -2.742570D-01
                  2.072800D+00          -3.155460D-01
                  8.307530D-01           5.710900D-02
                  3.091780D-01           5.636040D-01
                  1.001300D-01           3.846370D-01
            D    1   1.00
                  1.001300D-01           1.000000D+00
            D    1   1.00
                  3.243000D-02           1.000000D+00
            F    2   1.00
                  3.224300D+00           4.222490D-01
                  7.758000D-01           7.714680D-01
            F    1   1.00
                  2.749000D-01           1.000000D+00
            ****
            -Co     0
            S    20   1.00
                  4.675675D+06           7.979026D-06
                  7.001615D+05           6.204071D-05
                  1.593373D+05           3.261735D-04
                  4.513046D+04           1.375360D-03
                  1.472238D+04           4.979997D-03
                  5.314222D+03           1.596434D-02
                  2.072018D+03           4.552086D-02
                  8.586188D+02           1.127385D-01
                  3.735497D+02           2.268262D-01
                  1.689229D+02           3.203074D-01
                  7.829639D+01           2.374021D-01
                  3.552123D+01           7.477686D-02
                  1.704144D+01           9.581872D-02
                  8.173000D+00           9.649911D-02
                  3.610318D+00           1.623362D-02
                  1.697047D+00          -4.535497D-04
                  7.435320D-01           5.113519D-05
                  1.583440D-01          -4.174508D-05
                  7.503600D-02           4.027577D-05
                  3.309100D-02          -5.789067D-06
            S    20   1.00
                  4.675675D+06          -4.200240D-06
                  7.001615D+05          -3.265831D-05
                  1.593373D+05          -1.717644D-04
                  4.513046D+04          -7.247853D-04
                  1.472238D+04          -2.631462D-03
                  5.314222D+03          -8.489272D-03
                  2.072018D+03          -2.460619D-02
                  8.586188D+02          -6.322059D-02
                  3.735497D+02          -1.381957D-01
                  1.689229D+02          -2.340680D-01
                  7.829639D+01          -2.415002D-01
                  3.552123D+01           3.035312D-02
                  1.704144D+01           5.101341D-01
                  8.173000D+00           4.974939D-01
                  3.610318D+00           8.970746D-02
                  1.697047D+00          -5.941034D-03
                  7.435320D-01           2.175362D-04
                  1.583440D-01          -5.480155D-04
                  7.503600D-02           4.525804D-04
                  3.309100D-02          -1.066748D-04
            S    20   1.00
                  4.675675D+06           9.592692D-07
                  7.001615D+05           7.461851D-06
                  1.593373D+05           3.923137D-05
                  4.513046D+04           1.657706D-04
                  1.472238D+04           6.024335D-04
                  5.314222D+03           1.955217D-03
                  2.072018D+03           5.726326D-03
                  8.586188D+02           1.512984D-02
                  3.735497D+02           3.483973D-02
                  1.689229D+02           6.570351D-02
                  7.829639D+01           7.831503D-02
                  3.552123D+01          -1.877037D-02
                  1.704144D+01          -3.062663D-01
                  8.173000D+00          -4.566429D-01
                  3.610318D+00           1.378169D-01
                  1.697047D+00           7.193676D-01
                  7.435320D-01           3.992579D-01
                  1.583440D-01           2.079933D-02
                  7.503600D-02          -7.820663D-03
                  3.309100D-02           3.533911D-03
            S    20   1.00
                  4.675675D+06          -2.028840D-07
                  7.001615D+05          -1.577580D-06
                  1.593373D+05          -8.298813D-06
                  4.513046D+04          -3.504154D-05
                  1.472238D+04          -1.274655D-04
                  5.314222D+03          -4.132695D-04
                  2.072018D+03          -1.212261D-03
                  8.586188D+02          -3.199318D-03
                  3.735497D+02          -7.390972D-03
                  1.689229D+02          -1.393649D-02
                  7.829639D+01          -1.678575D-02
                  3.552123D+01           4.149856D-03
                  1.704144D+01           6.797646D-02
                  8.173000D+00           1.075807D-01
                  3.610318D+00          -4.166022D-02
                  1.697047D+00          -2.128044D-01
                  7.435320D-01          -2.381360D-01
                  1.583440D-01           2.650788D-01
                  7.503600D-02           5.722774D-01
                  3.309100D-02           3.091556D-01
            S    20   1.00
                  4.675675D+06          -3.863053D-07
                  7.001615D+05          -3.068788D-06
                  1.593373D+05          -1.564826D-05
                  4.513046D+04          -6.883588D-05
                  1.472238D+04          -2.377367D-04
                  5.314222D+03          -8.213173D-04
                  2.072018D+03          -2.229630D-03
                  8.586188D+02          -6.467841D-03
                  3.735497D+02          -1.325463D-02
                  1.689229D+02          -2.946686D-02
                  7.829639D+01          -2.599066D-02
                  3.552123D+01          -8.499807D-03
                  1.704144D+01           1.727316D-01
                  8.173000D+00           1.512189D-01
                  3.610318D+00           3.554509D-02
                  1.697047D+00          -8.829353D-01
                  7.435320D-01           2.143530D-01
                  1.583440D-01           1.711865D+00
                  7.503600D-02          -7.140037D-01
                  3.309100D-02          -8.027727D-01
            S    1   1.00
                  3.309100D-02           1.000000D+00
            S    1   1.00
                  1.459000D-02           1.000000D+00
            P    16   1.00
                  1.926778D+04           4.100000D-05
                  4.560986D+03           3.690000D-04
                  1.481436D+03           2.128000D-03
                  5.668671D+02           9.372000D-03
                  2.404910D+02           3.315500D-02
                  1.096105D+02           9.475200D-02
                  5.259491D+01           2.090930D-01
                  2.608361D+01           3.337220D-01
                  1.326143D+01           3.322080D-01
                  6.799778D+00           1.546130D-01
                  3.393414D+00           2.090200D-02
                  1.648766D+00          -2.024000D-03
                  7.762820D-01          -1.697000D-03
                  2.980030D-01          -2.800000D-04
                  1.136180D-01           2.600000D-05
                  4.162400D-02          -1.000000D-05
            P    16   1.00
                  1.926778D+04          -1.500000D-05
                  4.560986D+03          -1.310000D-04
                  1.481436D+03          -7.580000D-04
                  5.668671D+02          -3.363000D-03
                  2.404910D+02          -1.205400D-02
                  1.096105D+02          -3.542400D-02
                  5.259491D+01          -8.128700D-02
                  2.608361D+01          -1.369080D-01
                  1.326143D+01          -1.390190D-01
                  6.799778D+00           3.546800D-02
                  3.393414D+00           3.384980D-01
                  1.648766D+00           4.544330D-01
                  7.762820D-01           2.797930D-01
                  2.980030D-01           4.477600D-02
                  1.136180D-01          -3.151000D-03
                  4.162400D-02           1.317000D-03
            P    16   1.00
                  1.926778D+04          -3.000000D-06
                  4.560986D+03          -2.900000D-05
                  1.481436D+03          -1.670000D-04
                  5.668671D+02          -7.420000D-04
                  2.404910D+02          -2.662000D-03
                  1.096105D+02          -7.841000D-03
                  5.259491D+01          -1.805100D-02
                  2.608361D+01          -3.058000D-02
                  1.326143D+01          -3.131200D-02
                  6.799778D+00           1.131100D-02
                  3.393414D+00           8.999000D-02
                  1.648766D+00           1.307330D-01
                  7.762820D-01           7.180800D-02
                  2.980030D-01          -2.216580D-01
                  1.136180D-01          -5.710250D-01
                  4.162400D-02          -3.637890D-01
            P    16   1.00
                  1.926778D+04           5.000000D-06
                  4.560986D+03           4.500000D-05
                  1.481436D+03           2.550000D-04
                  5.668671D+02           1.144000D-03
                  2.404910D+02           4.061000D-03
                  1.096105D+02           1.209500D-02
                  5.259491D+01           2.747600D-02
                  2.608361D+01           4.755700D-02
                  1.326143D+01           4.730200D-02
                  6.799778D+00          -1.441800D-02
                  3.393414D+00          -1.500620D-01
                  1.648766D+00          -1.990920D-01
                  7.762820D-01          -7.978300D-02
                  2.980030D-01           4.590350D-01
                  1.136180D-01           6.174950D-01
                  4.162400D-02           6.469000D-02
            P    1   1.00
                  4.162400D-02           1.000000D+00
            P    1   1.00
                  1.525000D-02           1.000000D+00
            D    8   1.00
                  1.262640D+02           3.510000D-03
                  3.752260D+01           2.588400D-02
                  1.380210D+01           1.000580D-01
                  5.609270D+00           2.405470D-01
                  2.333690D+00           3.568430D-01
                  9.364150D-01           3.595790D-01
                  3.482370D-01           2.366290D-01
                  1.123530D-01           6.212900D-02
            D    8   1.00
                  1.262640D+02          -4.067000D-03
                  3.752260D+01          -3.005300D-02
                  1.380210D+01          -1.196200D-01
                  5.609270D+00          -2.915130D-01
                  2.333690D+00          -3.180480D-01
                  9.364150D-01           9.169800D-02
                  3.482370D-01           5.608230D-01
                  1.123530D-01           3.586780D-01
            D    1   1.00
                  1.123530D-01           1.000000D+00
            D    1   1.00
                  3.625000D-02           1.000000D+00
            F    2   1.00
                  3.772400D+00           4.239660D-01
                  9.170000D-01           7.684290D-01
            F    1   1.00
                  3.271500D-01           1.000000D+00
            ****
            -Ni     0
            S    20   1.00
                  5.045991D+06           8.208996D-06
                  7.556142D+05           6.382884D-05
                  1.719568D+05           3.355800D-04
                  4.870479D+04           1.415075D-03
                  1.588841D+04           5.124444D-03
                  5.735123D+03           1.643256D-02
                  2.236137D+03           4.689398D-02
                  9.266468D+02           1.163534D-01
                  4.031743D+02           2.350511D-01
                  1.823476D+02           3.350184D-01
                  8.454885D+01           2.534779D-01
                  3.839634D+01           7.300901D-02
                  1.845859D+01           6.184244D-02
                  8.863548D+00           6.302956D-02
                  3.916227D+00           1.008063D-02
                  1.838870D+00          -2.244528D-04
                  8.043620D-01          -5.932767D-05
                  1.697970D-01          -1.158562D-05
                  7.930600D-02           8.115109D-06
                  3.467700D-02          -1.681699D-06
            S    20   1.00
                  5.045991D+06          -3.657849D-06
                  7.556142D+05          -2.844094D-05
                  1.719568D+05          -1.495928D-04
                  4.870479D+04          -6.313009D-04
                  1.588841D+04          -2.293052D-03
                  5.735123D+03          -7.405123D-03
                  2.236137D+03          -2.152032D-02
                  9.266468D+02          -5.560974D-02
                  4.031743D+02          -1.230176D-01
                  1.823476D+02          -2.130104D-01
                  8.454885D+01          -2.265837D-01
                  3.839634D+01           3.546796D-02
                  1.845859D+01           5.181697D-01
                  8.863548D+00           5.025630D-01
                  3.916227D+00           8.955674D-02
                  1.838870D+00          -7.031311D-03
                  8.043620D-01          -4.339167D-04
                  1.697970D-01          -5.831711D-04
                  7.930600D-02           4.228788D-04
                  3.467700D-02          -1.266714D-04
            S    20   1.00
                  5.045991D+06           9.594149D-07
                  7.556142D+05           7.462614D-06
                  1.719568D+05           3.923843D-05
                  4.870479D+04           1.657868D-04
                  1.588841D+04           6.025905D-04
                  5.735123D+03           1.955662D-03
                  2.236137D+03           5.730391D-03
                  9.266468D+02           1.514756D-02
                  4.031743D+02           3.493499D-02
                  1.823476D+02           6.598072D-02
                  8.454885D+01           7.893083D-02
                  3.839634D+01          -1.906249D-02
                  1.845859D+01          -3.095921D-01
                  8.863548D+00          -4.558610D-01
                  3.916227D+00           1.482931D-01
                  1.838870D+00           7.134039D-01
                  8.043620D-01           3.976063D-01
                  1.697970D-01           2.295523D-02
                  7.930600D-02          -9.151758D-03
                  3.467700D-02           3.875414D-03
            S    20   1.00
                  5.045991D+06          -2.013753D-07
                  7.556142D+05          -1.565832D-06
                  1.719568D+05          -8.237182D-06
                  4.870479D+04          -3.478105D-05
                  1.588841D+04          -1.265265D-04
                  5.735123D+03          -4.102589D-04
                  2.236137D+03          -1.203834D-03
                  9.266468D+02          -3.179062D-03
                  4.031743D+02          -7.353828D-03
                  1.823476D+02          -1.389022D-02
                  8.454885D+01          -1.677875D-02
                  3.839634D+01           4.163378D-03
                  1.845859D+01           6.814703D-02
                  8.863548D+00           1.061029D-01
                  3.916227D+00          -4.339980D-02
                  1.838870D+00          -2.094950D-01
                  8.043620D-01          -2.310271D-01
                  1.697970D-01           2.590532D-01
                  7.930600D-02           5.691426D-01
                  3.467700D-02           3.158125D-01
            S    20   1.00
                  5.045991D+06          -3.924245D-07
                  7.556142D+05          -3.113909D-06
                  1.719568D+05          -1.590447D-05
                  4.870479D+04          -6.981394D-05
                  1.588841D+04          -2.417848D-04
                  5.735123D+03          -8.326195D-04
                  2.236137D+03          -2.270294D-03
                  9.266468D+02          -6.557427D-03
                  4.031743D+02          -1.354288D-02
                  1.823476D+02          -2.989768D-02
                  8.454885D+01          -2.693106D-02
                  3.839634D+01          -7.827693D-03
                  1.845859D+01           1.741667D-01
                  8.863548D+00           1.595468D-01
                  3.916227D+00           1.995550D-02
                  1.838870D+00          -8.897000D-01
                  8.043620D-01           2.486892D-01
                  1.697970D-01           1.613012D+00
                  7.930600D-02          -5.990277D-01
                  3.467700D-02          -8.369078D-01
            S    1   1.00
                  3.467700D-02           1.000000D+00
            S    1   1.00
                  1.516000D-02           1.000000D+00
            P    16   1.00
                  2.102792D+04           4.100000D-05
                  4.977560D+03           3.630000D-04
                  1.616740D+03           2.097000D-03
                  6.186718D+02           9.250000D-03
                  2.625183D+02           3.279600D-02
                  1.196907D+02           9.400400D-02
                  5.746585D+01           2.082800D-01
                  2.852829D+01           3.336540D-01
                  1.452148D+01           3.329040D-01
                  7.453850D+00           1.553720D-01
                  3.723553D+00           2.085900D-02
                  1.809813D+00          -2.440000D-03
                  8.513360D-01          -1.998000D-03
                  3.248140D-01          -3.380000D-04
                  1.195220D-01           3.500000D-05
                  4.236600D-02          -1.200000D-05
            P    16   1.00
                  2.102792D+04          -1.500000D-05
                  4.977560D+03          -1.290000D-04
                  1.616740D+03          -7.490000D-04
                  6.186718D+02          -3.328000D-03
                  2.625183D+02          -1.194700D-02
                  1.196907D+02          -3.524200D-02
                  5.746585D+01          -8.120400D-02
                  2.852829D+01          -1.374930D-01
                  1.452148D+01          -1.392260D-01
                  7.453850D+00           3.601600D-02
                  3.723553D+00           3.391280D-01
                  1.809813D+00           4.504720D-01
                  8.513360D-01           2.817830D-01
                  3.248140D-01           4.789800D-02
                  1.195220D-01          -2.987000D-03
                  4.236600D-02           1.309000D-03
            P    16   1.00
                  2.102792D+04           3.000000D-06
                  4.977560D+03           2.600000D-05
                  1.616740D+03           1.520000D-04
                  6.186718D+02           6.780000D-04
                  2.625183D+02           2.427000D-03
                  1.196907D+02           7.201000D-03
                  5.746585D+01           1.657800D-02
                  2.852829D+01           2.839200D-02
                  1.452148D+01           2.859900D-02
                  7.453850D+00          -1.013200D-02
                  3.723553D+00          -8.291200D-02
                  1.809813D+00          -1.159980D-01
                  8.513360D-01          -7.279500D-02
                  3.248140D-01           1.956400D-01
                  1.195220D-01           5.670990D-01
                  4.236600D-02           3.952700D-01
            P    16   1.00
                  2.102792D+04           6.000000D-06
                  4.977560D+03           5.300000D-05
                  1.616740D+03           3.050000D-04
                  6.186718D+02           1.364000D-03
                  2.625183D+02           4.876000D-03
                  1.196907D+02           1.450300D-02
                  5.746585D+01           3.329600D-02
                  2.852829D+01           5.748200D-02
                  1.452148D+01           5.870200D-02
                  7.453850D+00          -1.990400D-02
                  3.723553D+00          -1.946950D-01
                  1.809813D+00          -2.396130D-01
                  8.513360D-01          -2.232000D-03
                  3.248140D-01           5.214350D-01
                  1.195220D-01           5.455400D-01
                  4.236600D-02           4.362200D-02
            P    1   1.00
                  4.236600D-02           1.000000D+00
            P    1   1.00
                  1.502000D-02           1.000000D+00
            D    8   1.00
                  1.402527D+02           3.376000D-03
                  4.172610D+01           2.514100D-02
                  1.539810D+01           9.774600D-02
                  6.277100D+00           2.347090D-01
                  2.618500D+00           3.469450D-01
                  1.052600D+00           3.510680D-01
                  3.916000D-01           2.502550D-01
                  1.262000D-01           1.000820D-01
            D    8   1.00
                  1.402527D+02          -3.495000D-03
                  4.172610D+01          -2.601500D-02
                  1.539810D+01          -1.038760D-01
                  6.277100D+00          -2.520700D-01
                  2.618500D+00          -2.945800D-01
                  1.052600D+00           1.152000D-03
                  3.916000D-01           4.385890D-01
                  1.262000D-01           5.436260D-01
            D    1   1.00
                  1.262000D-01           1.000000D+00
            D    1   1.00
                  4.067000D-02           1.000000D+00
            F    2   1.00
                  4.345500D+00           4.174290D-01
                  1.068000D+00           7.714830D-01
            F    1   1.00
                  4.083000D-01           1.000000D+00
            ****
            -Cu     0
            S    20   1.00
                  5.430321D+06           7.801026D-06
                  8.131665D+05           6.065666D-05
                  1.850544D+05           3.188964D-04
                  5.241466D+04           1.344687D-03
                  1.709868D+04           4.869050D-03
                  6.171994D+03           1.561013D-02
                  2.406481D+03           4.452077D-02
                  9.972584D+02           1.103111D-01
                  4.339289D+02           2.220342D-01
                  1.962869D+02           3.133739D-01
                  9.104280D+01           2.315121D-01
                  4.138425D+01           7.640920D-02
                  1.993278D+01           1.103818D-01
                  9.581891D+00           1.094372D-01
                  4.234516D+00           1.836311D-02
                  1.985814D+00          -6.043084D-04
                  8.670830D-01           5.092245D-05
                  1.813390D-01          -5.540730D-05
                  8.365700D-02           3.969482D-05
                  3.626700D-02          -1.269538D-05
            S    20   1.00
                  5.430321D+06          -4.404706D-06
                  8.131665D+05          -3.424801D-05
                  1.850544D+05          -1.801238D-04
                  5.241466D+04          -7.600455D-04
                  1.709868D+04          -2.759348D-03
                  6.171994D+03          -8.900970D-03
                  2.406481D+03          -2.579378D-02
                  9.972584D+02          -6.623861D-02
                  4.339289D+02          -1.445927D-01
                  1.962869D+02          -2.440110D-01
                  9.104280D+01          -2.504837D-01
                  4.138425D+01           2.852577D-02
                  1.993278D+01           5.115874D-01
                  9.581891D+00           4.928061D-01
                  4.234516D+00           8.788437D-02
                  1.985814D+00          -5.820281D-03
                  8.670830D-01           2.013508D-04
                  1.813390D-01          -5.182553D-04
                  8.365700D-02           3.731503D-04
                  3.626700D-02          -1.193171D-04
            S    20   1.00
                  5.430321D+06           9.704682D-07
                  8.131665D+05           7.549245D-06
                  1.850544D+05           3.968892D-05
                  5.241466D+04           1.677200D-04
                  1.709868D+04           6.095101D-04
                  6.171994D+03           1.978846D-03
                  2.406481D+03           5.798049D-03
                  9.972584D+02           1.534158D-02
                  4.339289D+02           3.540484D-02
                  1.962869D+02           6.702098D-02
                  9.104280D+01           8.026945D-02
                  4.138425D+01          -1.927231D-02
                  1.993278D+01          -3.160129D-01
                  9.581891D+00          -4.573162D-01
                  4.234516D+00           1.550841D-01
                  1.985814D+00           7.202872D-01
                  8.670830D-01           3.885122D-01
                  1.813390D-01           1.924326D-02
                  8.365700D-02          -7.103807D-03
                  3.626700D-02           3.272906D-03
            S    20   1.00
                  5.430321D+06          -1.959354D-07
                  8.131665D+05          -1.523472D-06
                  1.850544D+05          -8.014808D-06
                  5.241466D+04          -3.383992D-05
                  1.709868D+04          -1.231191D-04
                  6.171994D+03          -3.992085D-04
                  2.406481D+03          -1.171900D-03
                  9.972584D+02          -3.096141D-03
                  4.339289D+02          -7.171993D-03
                  1.962869D+02          -1.356621D-02
                  9.104280D+01          -1.643989D-02
                  4.138425D+01           4.107628D-03
                  1.993278D+01           6.693964D-02
                  9.581891D+00           1.028221D-01
                  4.234516D+00          -4.422945D-02
                  1.985814D+00          -2.031191D-01
                  8.670830D-01          -2.230022D-01
                  1.813390D-01           2.517975D-01
                  8.365700D-02           5.650091D-01
                  3.626700D-02           3.247243D-01
            S    20   1.00
                  5.430321D+06          -3.532229D-07
                  8.131665D+05          -2.798812D-06
                  1.850544D+05          -1.432517D-05
                  5.241466D+04          -6.270946D-05
                  1.709868D+04          -2.179490D-04
                  6.171994D+03          -7.474316D-04
                  2.406481D+03          -2.049271D-03
                  9.972584D+02          -5.885203D-03
                  4.339289D+02          -1.226885D-02
                  1.962869D+02          -2.683147D-02
                  9.104280D+01          -2.479261D-02
                  4.138425D+01          -5.984746D-03
                  1.993278D+01           1.557124D-01
                  9.581891D+00           1.436683D-01
                  4.234516D+00           8.374103D-03
                  1.985814D+00          -7.460711D-01
                  8.670830D-01           1.244367D-01
                  1.813390D-01           1.510110D+00
                  8.365700D-02          -3.477122D-01
                  3.626700D-02          -9.774169D-01
            S    1   1.00
                  3.626700D-02           1.000000D+00
            S    1   1.00
                  1.572000D-02           1.000000D+00
            P    16   1.00
                  2.276057D+04           4.000000D-05
                  5.387679D+03           3.610000D-04
                  1.749945D+03           2.083000D-03
                  6.696653D+02           9.197000D-03
                  2.841948D+02           3.266000D-02
                  1.296077D+02           9.379500D-02
                  6.225415D+01           2.082740D-01
                  3.092964D+01           3.339930D-01
                  1.575827D+01           3.324930D-01
                  8.094211D+00           1.547280D-01
                  4.046921D+00           2.127100D-02
                  1.967869D+00          -1.690000D-03
                  9.252950D-01          -1.516000D-03
                  3.529920D-01          -2.420000D-04
                  1.273070D-01           2.300000D-05
                  4.435600D-02          -9.000000D-06
            P    16   1.00
                  2.276057D+04          -1.500000D-05
                  5.387679D+03          -1.310000D-04
                  1.749945D+03          -7.550000D-04
                  6.696653D+02          -3.359000D-03
                  2.841948D+02          -1.208100D-02
                  1.296077D+02          -3.570300D-02
                  6.225415D+01          -8.250200D-02
                  3.092964D+01          -1.398900D-01
                  1.575827D+01          -1.407290D-01
                  8.094211D+00           3.876600D-02
                  4.046921D+00           3.426950D-01
                  1.967869D+00           4.523100D-01
                  9.252950D-01           2.770540D-01
                  3.529920D-01           4.388500D-02
                  1.273070D-01          -2.802000D-03
                  4.435600D-02           1.152000D-03
            P    16   1.00
                  2.276057D+04           3.000000D-06
                  5.387679D+03           2.500000D-05
                  1.749945D+03           1.470000D-04
                  6.696653D+02           6.560000D-04
                  2.841948D+02           2.351000D-03
                  1.296077D+02           7.004000D-03
                  6.225415D+01           1.613100D-02
                  3.092964D+01           2.777000D-02
                  1.575827D+01           2.756700D-02
                  8.094211D+00          -1.011500D-02
                  4.046921D+00          -8.100900D-02
                  1.967869D+00          -1.104090D-01
                  9.252950D-01          -7.173200D-02
                  3.529920D-01           1.879300D-01
                  1.273070D-01           5.646290D-01
                  4.435600D-02           4.070000D-01
            P    16   1.00
                  2.276057D+04           5.000000D-06
                  5.387679D+03           4.900000D-05
                  1.749945D+03           2.780000D-04
                  6.696653D+02           1.253000D-03
                  2.841948D+02           4.447000D-03
                  1.296077D+02           1.337000D-02
                  6.225415D+01           3.046900D-02
                  3.092964D+01           5.344700D-02
                  1.575827D+01           5.263900D-02
                  8.094211D+00          -1.688100D-02
                  4.046921D+00          -1.794480D-01
                  1.967869D+00          -2.095880D-01
                  9.252950D-01          -3.963300D-02
                  3.529920D-01           5.021300D-01
                  1.273070D-01           5.811110D-01
                  4.435600D-02           4.566600D-02
            P    1   1.00
                  4.435600D-02           1.000000D+00
            P    1   1.00
                  1.545000D-02           1.000000D+00
            D    8   1.00
                  1.738970D+02           2.700000D-03
                  5.188690D+01           2.090900D-02
                  1.934190D+01           8.440800D-02
                  7.975720D+00           2.139990D-01
                  3.398230D+00           3.359800D-01
                  1.409320D+00           3.573010D-01
                  5.488580D-01           2.645780D-01
                  1.901990D-01           1.039720D-01
            D    8   1.00
                  1.738970D+02          -3.363000D-03
                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
                  7.975720D+00          -2.822170D-01
                  3.398230D+00          -3.471900D-01
                  1.409320D+00           2.671100D-02
                  5.488580D-01           4.920470D-01
                  1.901990D-01           4.384220D-01
            D    1   1.00
                  1.901990D-01           1.000000D+00
            D    1   1.00
                  6.591000D-02           1.000000D+00
            F    2   1.00
                  5.028600D+00           4.242800D-01
                  1.259400D+00           7.630250D-01
            F    1   1.00
                  4.617200D-01           1.000000D+00
            ****
            -Zn     0
            S    20   1.00
                  5.820021D+06           8.549241D-06
                  8.715234D+05           6.647410D-05
                  1.983350D+05           3.494962D-04
                  5.617631D+04           1.473832D-03
                  1.832582D+04           5.338330D-03
                  6.614955D+03           1.712708D-02
                  2.579199D+03           4.894085D-02
                  1.068849D+03           1.217934D-01
                  4.651045D+02           2.476589D-01
                  2.104130D+02           3.582431D-01
                  9.761629D+01           2.798174D-01
                  4.438020D+01           6.857491D-02
                  2.142308D+01          -1.311092D-03
                  1.030891D+01           1.914001D-03
                  4.553645D+00          -8.759220D-04
                  2.132821D+00           3.740096D-04
                  9.296970D-01          -1.401399D-04
                  1.921470D-01           4.757132D-05
                  8.759500D-02          -3.642711D-05
                  3.770200D-02           1.153248D-05
            S    20   1.00
                  5.820021D+06          -2.640069D-06
                  8.715234D+05          -2.052720D-05
                  1.983350D+05          -1.079859D-04
                  5.617631D+04          -4.558577D-04
                  1.832582D+04          -1.657758D-03
                  6.614955D+03          -5.368492D-03
                  2.579199D+03          -1.571249D-02
                  1.068849D+03          -4.122558D-02
                  4.651045D+02          -9.406459D-02
                  2.104130D+02          -1.719954D-01
                  9.761629D+01          -1.958523D-01
                  4.438020D+01           4.532907D-02
                  2.142308D+01           5.244442D-01
                  1.030891D+01           5.006142D-01
                  4.553645D+00           8.945527D-02
                  2.132821D+00          -2.146262D-03
                  9.296970D-01           2.112113D-03
                  1.921470D-01          -4.133980D-04
                  8.759500D-02           3.209752D-04
                  3.770200D-02          -1.016140D-04
            S    20   1.00
                  5.820021D+06           9.967103D-07
                  8.715234D+05           7.754163D-06
                  1.983350D+05           4.076019D-05
                  5.617631D+04           1.722811D-04
                  1.832582D+04           6.259370D-04
                  6.614955D+03           2.032855D-03
                  2.579199D+03           5.954646D-03
                  1.068849D+03           1.576640D-02
                  4.651045D+02           3.637638D-02
                  2.104130D+02           6.892343D-02
                  9.761629D+01           8.238093D-02
                  4.438020D+01          -2.011360D-02
                  2.142308D+01          -3.252526D-01
                  1.030891D+01          -4.602899D-01
                  4.553645D+00           1.635546D-01
                  2.132821D+00           7.297118D-01
                  9.296970D-01           3.769751D-01
                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
                  3.770200D-02           1.766214D-03
            S    20   1.00
                  5.820021D+06           1.995818D-07
                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
                  5.617631D+04           3.450747D-05
                  1.832582D+04           1.253275D-04
                  6.614955D+03           4.072990D-04
                  2.579199D+03           1.192734D-03
                  1.068849D+03           3.163140D-03
                  4.651045D+02           7.303942D-03
                  2.104130D+02           1.391279D-02
                  9.761629D+01           1.670620D-02
                  4.438020D+01          -4.035586D-03
                  2.142308D+01          -6.968861D-02
                  1.030891D+01          -1.030105D-01
                  4.553645D+00           4.471442D-02
                  2.132821D+00           2.150027D-01
                  9.296970D-01           2.220163D-01
                  1.921470D-01          -3.114776D-01
                  8.759500D-02          -5.693429D-01
                  3.770200D-02          -2.678440D-01
            S    20   1.00
                  5.820021D+06          -5.435910D-07
                  8.715234D+05          -4.336894D-06
                  1.983350D+05          -2.197572D-05
                  5.617631D+04          -9.747392D-05
                  1.832582D+04          -3.331615D-04
                  6.614955D+03          -1.166192D-03
                  2.579199D+03          -3.119308D-03
                  1.068849D+03          -9.239504D-03
                  4.651045D+02          -1.855471D-02
                  2.104130D+02          -4.281189D-02
                  9.761629D+01          -3.571095D-02
                  4.438020D+01          -1.638350D-02
                  2.142308D+01           2.644664D-01
                  1.030891D+01           2.086588D-01
                  4.553645D+00          -1.774382D-02
                  2.132821D+00          -1.353873D+00
                  9.296970D-01           8.182926D-01
                  1.921470D-01           1.695036D+00
                  8.759500D-02          -1.388656D+00
                  3.770200D-02          -2.188900D-01
            S    1   1.00
                  3.770200D-02           1.000000D+00
            S    1   1.00
                  1.623000D-02           1.000000D+00
            P    16   1.00
                  2.441198D+04          -1.500000D-05
                  5.778518D+03          -1.350000D-04
                  1.876862D+03          -7.820000D-04
                  7.182361D+02          -3.478000D-03
                  3.048327D+02          -1.252000D-02
                  1.390453D+02          -3.701600D-02
                  6.680417D+01          -8.555900D-02
                  3.320699D+01          -1.447180D-01
                  1.692816D+01          -1.434420D-01
                  8.696229D+00           4.359500D-02
                  4.350510D+00           3.488880D-01
                  2.116523D+00           4.538650D-01
                  9.953870D-01           2.685940D-01
                  3.781120D-01           3.886800D-02
                  1.345790D-01          -2.492000D-03
                  4.628200D-02           1.014000D-03
            P    16   1.00
                  2.441198D+04           3.000000D-06
                  5.778518D+03           2.500000D-05
                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
                  3.048327D+02           2.311000D-03
                  1.390453D+02           6.898000D-03
                  6.680417D+01           1.588200D-02
                  3.320699D+01           2.735000D-02
                  1.692816D+01           2.662100D-02
                  8.696229D+00          -1.085800D-02
                  4.350510D+00          -7.985300D-02
                  2.116523D+00          -1.061270D-01
                  9.953870D-01          -6.888300D-02
                  3.781120D-01           1.843850D-01
                  1.345790D-01           5.617880D-01
                  4.628200D-02           4.144160D-01
            P    16   1.00
                  2.441198D+04           5.000000D-06
                  5.778518D+03           4.200000D-05
                  1.876862D+03           2.380000D-04
                  7.182361D+02           1.088000D-03
                  3.048327D+02           3.821000D-03
                  1.390453D+02           1.164400D-02
                  6.680417D+01           2.616700D-02
                  3.320699D+01           4.675000D-02
                  1.692816D+01           4.330900D-02
                  8.696229D+00          -1.342900D-02
                  4.350510D+00          -1.538970D-01
                  2.116523D+00          -1.674130D-01
                  9.953870D-01          -8.499500D-02
                  3.781120D-01           4.508130D-01
                  1.345790D-01           6.408690D-01
                  4.628200D-02           5.417200D-02
            P    15   1.00
                  2.441198D+04           4.100000D-05
                  5.778518D+03           3.610000D-04
                  1.876862D+03           2.088000D-03
                  7.182361D+02           9.221000D-03
                  3.048327D+02           3.277300D-02
                  1.390453D+02           9.417900D-02
                  6.680417D+01           2.091320D-01
                  3.320699D+01           3.345690D-01
                  1.692816D+01           3.303590D-01
                  8.696229D+00           1.523470D-01
                  4.350510D+00           2.298400D-02
                  2.116523D+00           1.607000D-03
                  9.953870D-01           4.680000D-04
                  3.781120D-01           6.600000D-05
                  1.345790D-01          -2.000000D-06
            P    1   1.00
                  4.628200D-02           1.000000D+00
            P    1   1.00
                  1.592000D-02           1.000000D+00
            D    8   1.00
                  2.056177D+02           2.342000D-03
                  6.144981D+01           1.860600D-02
                  2.305689D+01           7.710200D-02
                  9.577739D+00           2.020260D-01
                  4.133734D+00           3.294540D-01
                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
            D    8   1.00
                  2.056177D+02           3.279000D-03
                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
                  1.747518D+00          -5.837500D-02
                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
            D    1   1.00
                  2.516080D-01           1.000000D+00
            D    1   1.00
                  9.049000D-02           1.000000D+00
            F    2   1.00
                  5.734400D+00           4.311320D-01
                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
            S    14   1.00
                  4.851300D+05           2.068000D-04
                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
                  1.529100D+03           1.111699D-01
                  5.518100D+02           2.753930D-01
                  2.151800D+02           4.212628D-01
                  8.817400D+01           2.738906D-01
                  2.715400D+01           2.837200D-02
                  1.150300D+01          -6.293100D-03
                  3.301800D+00           2.060600D-03
                  1.331400D+00          -9.269000D-04
                  1.931600D-01           2.273000D-04
                  7.089500D-02          -1.063000D-04
            S    14   1.00
                  4.851300D+05          -6.430000D-05
                  7.271900D+04          -4.954000D-04
                  1.655200D+04          -2.620800D-03
                  4.687800D+03          -1.068390D-02
                  1.529100D+03          -3.741230D-02
                  5.518100D+02          -1.009636D-01
                  2.151800D+02          -2.145141D-01
                  8.817400D+01          -1.752297D-01
                  2.715400D+01           4.831599D-01
                  1.150300D+01           6.323677D-01
                  3.301800D+00           6.849420D-02
                  1.331400D+00          -1.187120D-02
                  1.931600D-01           2.665200D-03
                  7.089500D-02          -1.225100D-03
            S    14   1.00
                  4.851300D+05           2.450000D-05
                  7.271900D+04           1.895000D-04
                  1.655200D+04           9.964000D-04
                  4.687800D+03           4.108200D-03
                  1.529100D+03           1.429380D-02
                  5.518100D+02           3.980340D-02
                  2.151800D+02           8.559400D-02
                  8.817400D+01           7.963050D-02
                  2.715400D+01          -2.939107D-01
                  1.150300D+01          -5.263914D-01
                  3.301800D+00           5.864249D-01
                  1.331400D+00           6.726347D-01
                  1.931600D-01           2.761230D-02
                  7.089500D-02          -9.365100D-03
            S    14   1.00
                  4.851300D+05          -5.700000D-06
                  7.271900D+04          -4.400000D-05
                  1.655200D+04          -2.305000D-04
                  4.687800D+03          -9.544000D-04
                  1.529100D+03          -3.305500D-03
                  5.518100D+02          -9.288800D-03
                  2.151800D+02          -1.986440D-02
                  8.817400D+01          -1.908880D-02
                  2.715400D+01           7.323560D-02
                  1.150300D+01           1.341526D-01
                  3.301800D+00          -1.831929D-01
                  1.331400D+00          -3.571308D-01
                  1.931600D-01           6.246013D-01
                  7.089500D-02           5.238430D-01
            S    1   1.00
                  7.089500D-02           1.000000D+00
            S    1   1.00
                  0.0243480              1.0000000
            P    11   1.00
                  3.248600D+03           1.526000D-03
                  7.699700D+02           1.274860D-02
                  2.482000D+02           6.337420D-02
                  9.336400D+01           2.065775D-01
                  3.825100D+01           4.092963D-01
                  1.642200D+01           3.919183D-01
                  6.791800D+00           1.029441D-01
                  2.833600D+00          -7.203000D-04
                  1.106200D+00           2.095000D-03
                  2.225000D-01          -3.290000D-04
                  6.177200D-02           1.162000D-04
            P    11   1.00
                  3.248600D+03          -5.803000D-04
                  7.699700D+02          -4.864700D-03
                  2.482000D+02          -2.483940D-02
                  9.336400D+01          -8.417590D-02
                  3.825100D+01          -1.800885D-01
                  1.642200D+01          -1.585555D-01
                  6.791800D+00           2.355376D-01
                  2.833600D+00           5.820587D-01
                  1.106200D+00           3.366619D-01
                  2.225000D-01           1.719120D-02
                  6.177200D-02          -3.326500D-03
            P    11   1.00
                  3.248600D+03           9.500000D-05
                  7.699700D+02           7.832000D-04
                  2.482000D+02           4.085500D-03
                  9.336400D+01           1.359870D-02
                  3.825100D+01           3.026950D-02
                  1.642200D+01           2.417900D-02
                  6.791800D+00          -4.237770D-02
                  2.833600D+00          -1.265661D-01
                  1.106200D+00          -4.994440D-02
                  2.225000D-01           4.494199D-01
                  6.177200D-02           6.718899D-01
            P    1   1.00
                  6.177200D-02           1.000000D+00
            P    1   1.00
                  0.0151640              1.0000000
            D    5   1.00
                  6.533700D+01           2.738250D-02
                  1.849700D+01           1.510805D-01
                  6.315000D+00           3.749217D-01
                  2.163500D+00           4.750799D-01
                  6.667500D-01           2.982750D-01
            D    1   1.00
                  1.884000D-01           1.000000D+00
            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
            S    14   1.00
                  5.218000D+05           2.045000D-04
                  7.821400D+04           1.586800D-03
                  1.780300D+04           8.248000D-03
                  5.041900D+03           3.366490D-02
                  1.644500D+03           1.101249D-01
                  5.934300D+02           2.735607D-01
                  2.313600D+02           4.210670D-01
                  9.476200D+01           2.766791D-01
                  2.927400D+01           2.921800D-02
                  1.245000D+01          -6.590300D-03
                  3.646300D+00           2.243000D-03
                  1.502500D+00          -1.038200D-03
                  2.450300D-01           2.695000D-04
                  9.159400D-02          -1.228000D-04
            S    14   1.00
                  5.218000D+05          -6.380000D-05
                  7.821400D+04          -4.916000D-04
                  1.780300D+04          -2.600200D-03
                  5.041900D+03          -1.060800D-02
                  1.644500D+03          -3.716020D-02
                  5.934300D+02          -1.005790D-01
                  2.313600D+02          -2.143977D-01
                  9.476200D+01          -1.782617D-01
                  2.927400D+01           4.777404D-01
                  1.245000D+01           6.355983D-01
                  3.646300D+00           7.221740D-02
                  1.502500D+00          -1.272650D-02
                  2.450300D-01           2.960800D-03
                  9.159400D-02          -1.329200D-03
            S    14   1.00
                  5.218000D+05           2.460000D-05
                  7.821400D+04           1.900000D-04
                  1.780300D+04           9.993000D-04
                  5.041900D+03           4.120000D-03
                  1.644500D+03           1.435570D-02
                  5.934300D+02           4.003750D-02
                  2.313600D+02           8.657940D-02
                  9.476200D+01           8.158610D-02
                  2.927400D+01          -2.934770D-01
                  1.245000D+01          -5.367983D-01
                  3.646300D+00           5.637985D-01
                  1.502500D+00           6.947182D-01
                  2.450300D-01           3.157300D-02
                  9.159400D-02          -9.894900D-03
            S    14   1.00
                  5.218000D+05          -6.300000D-06
                  7.821400D+04          -4.860000D-05
                  1.780300D+04          -2.553000D-04
                  5.041900D+03          -1.056000D-03
                  1.644500D+03          -3.667400D-03
                  5.934300D+02          -1.030530D-02
                  2.313600D+02          -2.222000D-02
                  9.476200D+01          -2.152750D-02
                  2.927400D+01           8.067520D-02
                  1.245000D+01           1.524958D-01
                  3.646300D+00          -1.980528D-01
                  1.502500D+00          -4.073954D-01
                  2.450300D-01           6.477288D-01
                  9.159400D-02           5.222033D-01
            S    1   1.00
                  9.159400D-02           1.000000D+00
            S    1   1.00
                  0.0339610              1.0000000
            P    11   1.00
                  3.568100D+03           1.459100D-03
                  8.457200D+02           1.221760D-02
                  2.727400D+02           6.104900D-02
                  1.026800D+02           2.008039D-01
                  4.214800D+01           4.038942D-01
                  1.814900D+01           3.970027D-01
                  7.593400D+00           1.105481D-01
                  3.196400D+00           7.680000D-05
                  1.274300D+00           2.126300D-03
                  2.825800D-01          -3.744000D-04
                  8.409000D-02           1.321000D-04
            P    11   1.00
                  3.568100D+03          -5.630000D-04
                  8.457200D+02          -4.735400D-03
                  2.727400D+02          -2.426430D-02
                  1.026800D+02          -8.309000D-02
                  4.214800D+01          -1.800247D-01
                  1.814900D+01          -1.663295D-01
                  7.593400D+00           2.193717D-01
                  3.196400D+00           5.820239D-01
                  1.274300D+00           3.477720D-01
                  2.825800D-01           1.924550D-02
                  8.409000D-02          -3.482500D-03
            P    11   1.00
                  3.568100D+03           1.115000D-04
                  8.457200D+02           9.212000D-04
                  2.727400D+02           4.827300D-03
                  1.026800D+02           1.622720D-02
                  4.214800D+01           3.663540D-02
                  1.814900D+01           3.078670D-02
                  7.593400D+00          -4.806430D-02
                  3.196400D+00          -1.559804D-01
                  1.274300D+00          -6.323700D-02
                  2.825800D-01           5.040819D-01
                  8.409000D-02           6.182200D-01
            P    1   1.00
                  8.409000D-02           1.000000D+00
            P    1   1.00
                  0.0239450              1.0000000
            D    5   1.00
                  7.476200D+01           2.576840D-02
                  2.130200D+01           1.454421D-01
                  7.343600D+00           3.713721D-01
                  2.565100D+00           4.800002D-01
                  8.197000D-01           2.896800D-01
            D    1   1.00
                  2.470000D-01           1.000000D+00
            D    1   1.00
                  0.0771000              1.0000000
            ****
            -As     0
            S    14   1.00
                  5.595838D+05           2.024000D-04
                  8.387933D+04           1.570900D-03
                  1.909267D+04           8.166200D-03
                  5.407392D+03           3.333990D-02
                  1.763756D+03           1.091726D-01
                  6.364567D+02           2.718853D-01
                  2.480884D+02           4.208509D-01
                  1.015785D+02           2.792257D-01
                  3.147551D+01           3.003010D-02
                  1.343728D+01          -6.880400D-03
                  4.008690D+00           2.424000D-03
                  1.684929D+00          -1.149100D-03
                  3.000190D-01           3.095000D-04
                  1.135870D-01          -1.377000D-04
            S    14   1.00
                  5.595838D+05          -6.340000D-05
                  8.387933D+04          -4.883000D-04
                  1.909267D+04          -2.582100D-03
                  5.407392D+03          -1.054020D-02
                  1.763756D+03          -3.693250D-02
                  6.364567D+02          -1.002355D-01
                  2.480884D+02          -2.142948D-01
                  1.015785D+02          -1.810526D-01
                  3.147551D+01           4.725410D-01
                  1.343728D+01           6.386194D-01
                  4.008690D+00           7.581070D-02
                  1.684929D+00          -1.352780D-02
                  3.000190D-01           3.197000D-03
                  1.135870D-01          -1.405600D-03
            S    14   1.00
                  5.595838D+05           2.460000D-05
                  8.387933D+04           1.907000D-04
                  1.909267D+04           1.003100D-03
                  5.407392D+03           4.135300D-03
                  1.763756D+03           1.442590D-02
                  6.364567D+02           4.029620D-02
                  2.480884D+02           8.756700D-02
                  1.015785D+02           8.351780D-02
                  3.147551D+01          -2.932935D-01
                  1.343728D+01          -5.470520D-01
                  4.008690D+00           5.438738D-01
                  1.684929D+00           7.143591D-01
                  3.000190D-01           3.534430D-02
                  1.135870D-01          -1.028920D-02
            S    14   1.00
                  5.595838D+05          -6.800000D-06
                  8.387933D+04          -5.250000D-05
                  1.909267D+04          -2.756000D-04
                  5.407392D+03          -1.138900D-03
                  1.763756D+03          -3.964600D-03
                  6.364567D+02          -1.114230D-02
                  2.480884D+02          -2.419910D-02
                  1.015785D+02          -2.363390D-02
                  3.147551D+01           8.663170D-02
                  1.343728D+01           1.685839D-01
                  4.008690D+00          -2.091425D-01
                  1.684929D+00          -4.500918D-01
                  3.000190D-01           6.603978D-01
                  1.135870D-01           5.284152D-01
            S    1   1.00
                  1.135870D-01           1.000000D+00
            S    1   1.00
                  0.0411520              1.0000000
            P    11   1.00
                  3.886356D+03           1.409700D-03
                  9.212020D+02           1.182770D-02
                  2.971932D+02           5.932800D-02
                  1.119751D+02           1.965115D-01
                  4.603462D+01           3.997891D-01
                  1.987419D+01           4.004653D-01
                  8.386088D+00           1.164196D-01
                  3.558728D+00           6.918000D-04
                  1.447282D+00           2.163300D-03
                  3.477790D-01          -4.150000D-04
                  1.076990D-01           1.452000D-04
            P    11   1.00
                  3.886356D+03          -5.519000D-04
                  9.212020D+02          -4.655000D-03
                  2.971932D+02          -2.391760D-02
                  1.119751D+02          -8.256270D-02
                  4.603462D+01          -1.806791D-01
                  1.987419D+01          -1.724848D-01
                  8.386088D+00           2.086700D-01
                  3.558728D+00           5.823622D-01
                  1.447282D+00           3.537465D-01
                  3.477790D-01           2.064390D-02
                  1.076990D-01          -3.638200D-03
            P    11   1.00
                  3.886356D+03           1.236000D-04
                  9.212020D+02           1.024000D-03
                  2.971932D+02           5.380500D-03
                  1.119751D+02           1.824430D-02
                  4.603462D+01           4.159790D-02
                  1.987419D+01           3.629980D-02
                  8.386088D+00          -5.235690D-02
                  3.558728D+00          -1.791667D-01
                  1.447282D+00          -7.404770D-02
                  3.477790D-01           5.358094D-01
                  1.076990D-01           5.888104D-01
            P    1   1.00
                  1.076990D-01           1.000000D+00
            P    1   1.00
                  0.0312680              1.0000000
            D    5   1.00
                  8.442423D+01           2.452880D-02
                  2.418159D+01           1.411340D-01
                  8.401777D+00           3.687579D-01
                  2.980502D+00           4.840626D-01
                  9.790030D-01           2.824434D-01
            D    1   1.00
                  3.098000D-01           1.000000D+00
            D    1   1.00
                  0.1078000              1.0000000
            ****
            -Se     0
            S    14   1.00
                  5.989900D+05           2.004000D-04
                  8.978300D+04           1.555400D-03
                  2.043500D+04           8.087200D-03
                  5.786900D+03           3.303440D-02
                  1.887300D+03           1.082924D-01
                  6.809700D+02           2.703361D-01
                  2.653900D+02           4.206236D-01
                  1.086300D+02           2.815922D-01
                  3.376000D+01           3.081100D-02
                  1.446500D+01          -7.161700D-03
                  4.389000D+00           2.602200D-03
                  1.878300D+00          -1.258300D-03
                  3.585900D-01           3.465000D-04
                  1.364900D-01          -1.503000D-04
            S    14   1.00
                  5.989900D+05          -6.290000D-05
                  8.978300D+04          -4.850000D-04
                  2.043500D+04          -2.564400D-03
                  5.786900D+03          -1.047610D-02
                  1.887300D+03          -3.672230D-02
                  6.809700D+02          -9.992250D-02
                  2.653900D+02          -2.141973D-01
                  1.086300D+02          -1.836593D-01
                  3.376000D+01           4.675454D-01
                  1.446500D+01           6.414740D-01
                  4.389000D+00           7.925690D-02
                  1.878300D+00          -1.426970D-02
                  3.585900D-01           3.379200D-03
                  1.364900D-01          -1.453700D-03
            S    14   1.00
                  5.989900D+05           2.470000D-05
                  8.978300D+04           1.913000D-04
                  2.043500D+04           1.006800D-03
                  5.786900D+03           4.151400D-03
                  1.887300D+03           1.449910D-02
                  6.809700D+02           4.056580D-02
                  2.653900D+02           8.853640D-02
                  1.086300D+02           8.542120D-02
                  3.376000D+01          -2.932581D-01
                  1.446500D+01          -5.570727D-01
                  4.389000D+00           5.261436D-01
                  1.878300D+00           7.320371D-01
                  3.585900D-01           3.882460D-02
                  1.364900D-01          -1.050360D-02
            S    14   1.00
                  5.989900D+05          -7.200000D-06
                  8.978300D+04          -5.590000D-05
                  2.043500D+04          -2.938000D-04
                  5.786900D+03          -1.213600D-03
                  1.887300D+03          -4.234000D-03
                  6.809700D+02          -1.190350D-02
                  2.653900D+02          -2.602060D-02
                  1.086300D+02          -2.561480D-02
                  3.376000D+01           9.194270D-02
                  1.446500D+01           1.838700D-01
                  4.389000D+00          -2.188461D-01
                  1.878300D+00          -4.896524D-01
                  3.585900D-01           6.775818D-01
                  1.364900D-01           5.296721D-01
            S    1   1.00
                  1.364900D-01           1.000000D+00
            S    1   1.00
                  0.0487470              1.0000000
            P    11   1.00
                  4.135600D+03           1.412700D-03
                  9.803400D+02           1.185880D-02
                  3.163500D+02           5.951530D-02
                  1.192500D+02           1.972201D-01
                  4.906800D+01           4.007439D-01
                  2.121200D+01           3.994740D-01
                  8.946200D+00           1.153364D-01
                  3.823600D+00           2.219000D-04
                  1.588300D+00           2.283800D-03
                  4.096900D-01          -4.756000D-04
                  1.245900D-01           1.516000D-04
            P    11   1.00
                  4.135600D+03          -5.610000D-04
                  9.803400D+02          -4.734000D-03
                  3.163500D+02          -2.435040D-02
                  1.192500D+02          -8.410710D-02
                  4.906800D+01          -1.841384D-01
                  2.121200D+01          -1.735004D-01
                  8.946200D+00           2.167263D-01
                  3.823600D+00           5.850099D-01
                  1.588300D+00           3.416816D-01
                  4.096900D-01           1.991250D-02
                  1.245900D-01          -2.613100D-03
            P    11   1.00
                  4.135600D+03           1.366000D-04
                  9.803400D+02           1.130800D-03
                  3.163500D+02           5.958100D-03
                  1.192500D+02           2.018660D-02
                  4.906800D+01           4.619390D-02
                  2.121200D+01           3.940500D-02
                  8.946200D+00          -5.928460D-02
                  3.823600D+00          -2.014663D-01
                  1.588300D+00          -6.878210D-02
                  4.096900D-01           5.595944D-01
                  1.245900D-01           5.709784D-01
            P    1   1.00
                  1.245900D-01           1.000000D+00
            P    1   1.00
                  0.0354920              1.0000000
            D    5   1.00
                  9.447200D+01           2.349820D-02
                  2.718000D+01           1.375183D-01
                  9.506800D+00           3.664824D-01
                  3.416800D+00           4.874717D-01
                  1.147900D+00           2.765769D-01
            D    1   1.00
                  3.682000D-01           1.000000D+00
            D    1   1.00
                  0.1283000              1.0000000
            ****
            -Br     0
            S    14   1.00
                  6.401000D+05           1.984000D-04
                  9.593800D+04           1.540000D-03
                  2.183300D+04           8.009600D-03
                  6.181900D+03           3.273410D-02
                  2.015700D+03           1.074480D-01
                  7.271000D+02           2.688946D-01
                  2.832800D+02           4.204411D-01
                  1.159100D+02           2.838041D-01
                  3.612400D+01           3.154550D-02
                  1.553200D+01          -7.426800D-03
                  4.785700D+00           2.772800D-03
                  2.081700D+00          -1.363500D-03
                  4.202800D-01           3.812000D-04
                  1.606900D-01          -1.615000D-04
            S    14   1.00
                  6.401000D+05          -6.250000D-05
                  9.593800D+04          -4.816000D-04
                  2.183300D+04          -2.546600D-03
                  6.181900D+03          -1.041120D-02
                  2.015700D+03          -3.651790D-02
                  7.271000D+02          -9.962950D-02
                  2.832800D+02          -2.141310D-01
                  1.159100D+02          -1.860911D-01
                  3.612400D+01           4.628261D-01
                  1.553200D+01           6.441141D-01
                  4.785700D+00           8.255020D-02
                  2.081700D+00          -1.496940D-02
                  4.202800D-01           3.528800D-03
                  1.606900D-01          -1.490900D-03
            S    14   1.00
                  6.401000D+05           2.480000D-05
                  9.593800D+04           1.919000D-04
                  2.183300D+04           1.010000D-03
                  6.181900D+03           4.165900D-03
                  2.015700D+03           1.456830D-02
                  7.271000D+02           4.083450D-02
                  2.832800D+02           8.948590D-02
                  1.159100D+02           8.727860D-02
                  3.612400D+01          -2.933644D-01
                  1.553200D+01          -5.667109D-01
                  4.785700D+00           5.105658D-01
                  2.081700D+00           7.477214D-01
                  4.202800D-01           4.215120D-02
                  1.606900D-01          -1.066120D-02
            S    14   1.00
                  6.401000D+05          -7.600000D-06
                  9.593800D+04          -5.880000D-05
                  2.183300D+04          -3.092000D-04
                  6.181900D+03          -1.276600D-03
                  2.015700D+03          -4.463400D-03
                  7.271000D+02          -1.255750D-02
                  2.832800D+02          -2.761450D-02
                  1.159100D+02          -2.739450D-02
                  3.612400D+01           9.640940D-02
                  1.553200D+01           1.976871D-01
                  4.785700D+00          -2.266693D-01
                  2.081700D+00          -5.241165D-01
                  4.202800D-01           6.889865D-01
                  1.606900D-01           5.344331D-01
            S    1   1.00
                  1.606900D-01           1.000000D+00
            S    1   1.00
                  0.0569460              1.0000000
            P    11   1.00
                  4.340800D+03           1.444800D-03
                  1.028900D+03           1.212880D-02
                  3.320200D+02           6.080770D-02
                  1.251600D+02           2.009358D-01
                  5.151100D+01           4.047419D-01
                  2.228100D+01           3.957151D-01
                  9.341700D+00           1.102213D-01
                  4.013200D+00          -9.090000D-04
                  1.700200D+00           2.483200D-03
                  4.719400D-01          -5.744000D-04
                  1.442100D-01           1.691000D-04
            P    11   1.00
                  4.340800D+03          -5.819000D-04
                  1.028900D+03          -4.906500D-03
                  3.320200D+02          -2.525140D-02
                  1.251600D+02          -8.694450D-02
                  5.151100D+01          -1.893422D-01
                  2.228100D+01          -1.710882D-01
                  9.341700D+00           2.368755D-01
                  4.013200D+00           5.898400D-01
                  1.700200D+00           3.171944D-01
                  4.719400D-01           1.798330D-02
                  1.442100D-01          -1.468300D-03
            P    11   1.00
                  4.340800D+03           1.518000D-04
                  1.028900D+03           1.256300D-03
                  3.320200D+02           6.622400D-03
                  1.251600D+02           2.238160D-02
                  5.151100D+01           5.097170D-02
                  2.228100D+01           4.140090D-02
                  9.341700D+00          -7.039700D-02
                  4.013200D+00          -2.232540D-01
                  1.700200D+00          -5.641790D-02
                  4.719400D-01           5.808079D-01
                  1.442100D-01           5.508132D-01
            P    1   1.00
                  1.442100D-01           1.000000D+00
            P    1   1.00
                  0.0410490              1.0000000
            D    5   1.00
                  1.048300D+02           2.265830D-02
                  3.027200D+01           1.345895D-01
                  1.064900D+01           3.647181D-01
                  3.869600D+00           4.904196D-01
                  1.323900D+00           2.713885D-01
            D    1   1.00
                  4.098000D-01           1.000000D+00
            D    1   1.00
                  0.1719000              1.0000000
            ****
            -Kr     0
            S    14   1.00
                  6.813588D+05           1.969000D-04
                  1.021265D+05           1.528600D-03
                  2.324371D+04           7.950000D-03
                  6.582007D+03           3.249380D-02
                  2.146429D+03           1.067240D-01
                  7.743378D+02           2.675701D-01
                  3.016702D+02           4.201851D-01
                  1.234118D+02           2.858015D-01
                  3.856755D+01           3.224610D-02
                  1.663738D+01          -7.682800D-03
                  5.198795D+00           2.939300D-03
                  2.294814D+00          -1.466200D-03
                  4.852110D-01           4.144000D-04
                  1.862700D-01          -1.720000D-04
            S    14   1.00
                  6.813588D+05          -6.220000D-05
                  1.021265D+05          -4.794000D-04
                  2.324371D+04          -2.534100D-03
                  6.582007D+03          -1.036360D-02
                  2.146429D+03          -3.635160D-02
                  7.743378D+02          -9.937370D-02
                  3.016702D+02          -2.140610D-01
                  1.234118D+02          -1.883192D-01
                  3.856755D+01           4.583816D-01
                  1.663738D+01           6.465664D-01
                  5.198795D+00           8.565790D-02
                  2.294814D+00          -1.561230D-02
                  4.852110D-01           3.649000D-03
                  1.862700D-01          -1.518900D-03
            S    14   1.00
                  6.813588D+05           2.490000D-05
                  1.021265D+05           1.928000D-04
                  2.324371D+04           1.014900D-03
                  6.582007D+03           4.185700D-03
                  2.146429D+03           1.464590D-02
                  7.743378D+02           4.110700D-02
                  3.016702D+02           9.039550D-02
                  1.234118D+02           8.906230D-02
                  3.856755D+01          -2.935718D-01
                  1.663738D+01          -5.759698D-01
                  5.198795D+00           4.968578D-01
                  2.294814D+00           7.616895D-01
                  4.852110D-01           4.532670D-02
                  1.862700D-01          -1.077220D-02
            S    14   1.00
                  6.813588D+05          -7.900000D-06
                  1.021265D+05          -6.140000D-05
                  2.324371D+04          -3.230000D-04
                  6.582007D+03          -1.333000D-03
                  2.146429D+03          -4.667200D-03
                  7.743378D+02          -1.313520D-02
                  3.016702D+02          -2.903420D-02
                  1.234118D+02          -2.901730D-02
                  3.856755D+01           1.002664D-01
                  1.663738D+01           2.103818D-01
                  5.198795D+00          -2.332471D-01
                  2.294814D+00          -5.546497D-01
                  4.852110D-01           6.969522D-01
                  1.862700D-01           5.408152D-01
            S    1   1.00
                  1.862700D-01           1.000000D+00
            S    1   1.00
                  0.0651450              1.0000000
            P    11   1.00
                  4.474270D+03           1.519500D-03
                  1.060579D+03           1.274240D-02
                  3.422081D+02           6.364650D-02
                  1.289984D+02           2.085635D-01
                  5.308722D+01           4.122423D-01
                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
                  4.083055D+00          -2.507800D-03
                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
                  1.643690D-01           2.107000D-04
            P    11   1.00
                  4.474270D+03          -6.208000D-04
                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
                  9.507300D+00           2.738204D-01
                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
                  5.308722D+01           5.571550D-02
                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
                  5.291900D-01           6.012295D-01
                  1.643690D-01           5.254807D-01
            P    1   1.00
                  1.643690D-01           1.000000D+00
            P    1   1.00
                  0.0466060              1.0000000
            D    5   1.00
                  1.155253D+02           2.195570D-02
                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
                  1.507524D+00           2.667560D-01
            D    1   1.00
                  5.030000D-01           1.000000D+00
            D    1   1.00
                  0.2155000              1.0000000
            ****
            -Y     0
            S    7   1.00
                 29.2935000              0.0066660
                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
                  0.0690850              0.6581470
            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
                  0.0690850             -1.8636390
            S    1   1.00
                  0.0274150              1.0000000
            S    1   1.00
                  0.0109000              1.0000000
            P    6   1.00
                  9.0271500              0.0203960
                  4.0242700             -0.1536620
                  0.9906740              0.4320820
                  0.4727970              0.4983480
                  0.2197340              0.1957420
                  0.0800880              0.0140830
            P    6   1.00
                  9.0271500             -0.0056190
                  4.0242700              0.0465110
                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
                  0.0800880              0.6364970
            P    6   1.00
                  9.0271500              0.0111310
                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
                  0.0800880             -0.1131120
            P    1   1.00
                  0.0306400              1.0000000
            P    1   1.00
                  0.0117000              1.0000000
            D    5   1.00
                  4.3045000             -0.0043910
                  1.3201900              0.1196820
                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
                  4.3045000              0.0044330
                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
                  0.0879490              0.4218970
            D    1   1.00
                  0.0323050              1.0000000
            D    1   1.00
                  0.0119000              1.0000000
            F    1   1.00
                  0.2028000              1.0000000
            F    1   1.00
                  0.0484000              1.0000000
            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
                  0.0777920              0.0203880
            S    7   1.00
                 53.4460000             -0.0003080
                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
                  0.0777920              0.6560480
            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
                  0.0777920             -1.6769590
            S    1   1.00
                  0.0302340              1.0000000
            S    1   1.00
                  0.0118000              1.0000000
            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
                  0.0847070              0.6181780
            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
                  0.0847070              0.8518400
            P    1   1.00
                  0.0311380              1.0000000
            P    1   1.00
                  0.0114000              1.0000000
            D    5   1.00
                  4.3948700             -0.0082920
                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
                  4.3948700              0.0084760
                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
                  0.1158780              0.4914180
            D    1   1.00
                  0.0429250              1.0000000
            D    1   1.00
                  0.0159000              1.0000000
            F    1   1.00
                  0.3272000              1.0000000
            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
                  0.0854690              0.6546160
            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
                  0.0326640              1.0000000
            S    1   1.00
                  0.0125000              1.0000000
            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
                  0.0929460              0.0087660
            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
                  0.0338800              1.0000000
            P    1   1.00
                  0.0123000              1.0000000
            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
                  0.1447240              0.4861590
            D    1   1.00
                  0.0543230              1.0000000
            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
                  0.4690000              1.0000000
            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
                  0.0925180              0.6498330
            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
                  0.0348540              1.0000000
            S    1   1.00
                  0.0131000              1.0000000
            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
                  0.0362770              1.0000000
            P    1   1.00
                  0.0131000              1.0000000
            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
                  0.0623420              1.0000000
            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
                  0.0367360              1.0000000
            S    1   1.00
                  0.0137000              1.0000000
            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
                  0.0381770              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  5.7601300             -0.0164110
                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
                  0.1936070              0.5346560
            D    1   1.00
                  0.0714600              1.0000000
            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
                  0.0392180              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
                  0.0391720              1.0000000
            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
                  0.0824110              1.0000000
            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
                  0.0431300              1.0000000
            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
                  0.3661640              0.3299670
            D    1   1.00
                  0.1239770              1.0000000
            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
                  7.1390600              0.0546710
                  1.8300700             -0.1661610
                  0.8583350             -0.1858420
                  0.3772750              0.0731610
                  0.1256960              0.5861720
            P    6   1.00
                 14.0509000             -0.0186030
                  7.1390600              0.1098650
                  1.8300700             -0.3664000
                  0.8583350             -0.3473160
                  0.3772750              0.4820340
                  0.1256960              0.7096400
            P    1   1.00
                  0.0426590              1.0000000
            P    1   1.00
                  0.0145000              1.0000000
            D    5   1.00
                 19.2539000              0.0066240
                 10.5848000             -0.0184110
                  2.4561900              0.2633960
                  1.0352900              0.4524480
                  0.4020080              0.3758330
            D    5   1.00
                 19.2539000             -0.0078390
                 10.5848000              0.0218380
                  2.4561900             -0.3691550
                  1.0352900             -0.4309590
                  0.4020080              0.3749650
            D    1   1.00
                  0.1370570              1.0000000
            D    1   1.00
                  0.0467000              1.0000000
            F    1   1.00
                  1.1484000              1.0000000
            F    1   1.00
                  0.3788000              1.0000000
            ****
            -Ag     0
            S    8   1.00
                180.0750000              0.0008490
                 21.8987000             -0.0654500
                 13.8670000              0.2977650
                  6.1426300             -0.7531210
                  1.4381400              0.8811750
                  0.6483820              0.4351760
                  0.1288820              0.0147380
                  0.0457380             -0.0013990
            S    8   1.00
                180.0750000             -0.0002030
                 21.8987000              0.0157230
                 13.8670000             -0.0792290
                  6.1426300              0.2226340
                  1.4381400             -0.3491960
                  0.6483820             -0.2559780
                  0.1288820              0.5486660
                  0.0457380              0.6181030
            S    8   1.00
                180.0750000             -0.0008620
                 21.8987000              0.0525460
                 13.8670000             -0.2081000
                  6.1426300              0.5249720
                  1.4381400             -1.2701730
                  0.6483820              0.5393730
                  0.1288820              1.6533910
                  0.0457380             -1.5839750
            S    1   1.00
                  0.0457380              1.0000000
            S    1   1.00
                  0.0162000              1.0000000
            P    7   1.00
                 11.8751000              0.1162480
                  8.0024500             -0.3072860
                  2.0176600              0.5157360
                  0.9542300              0.5031040
                  0.4231180              0.1420950
                  0.1358850              0.0051530
                  0.0454010              0.0001040
            P    7   1.00
                 11.8751000             -0.0282840
                  8.0024500              0.0783470
                  2.0176600             -0.1567410
                  0.9542300             -0.1886250
                  0.4231180              0.0635650
                  0.1358850              0.5817780
                  0.0454010              0.4999110
            P    7   1.00
                 11.8751000             -0.0528570
                  8.0024500              0.1470390
                  2.0176600             -0.3129730
                  0.9542300             -0.3708280
                  0.4231180              0.4236290
                  0.1358850              0.7536550
                  0.0454010              0.0708700
            P    1   1.00
                  0.0454010              1.0000000
            P    1   1.00
                  0.0152000              1.0000000
            D    6   1.00
                 26.4320000              0.0034790
                 11.0345000             -0.0138480
                  2.7378700              0.2545990
                  1.1957500              0.4498490
                  0.4820420              0.3757380
                  0.1729080              0.1458790
            D    6   1.00
                 26.4320000             -0.0047330
                 11.0345000              0.0190700
                  2.7378700             -0.4332980
                  1.1957500             -0.4445680
                  0.4820420              0.4914420
                  0.1729080              0.5728660
            D    1   1.00
                  0.1729080              1.0000000
            D    1   1.00
                  0.0620000              1.0000000
            F    1   1.00
                  1.3299000              1.0000000
            F    1   1.00
                  0.4449000              1.0000000
            ****
            -Cd     0
            S    8   1.00
                223.8530000              0.0008710
                 23.0948000             -0.0643070
                 14.6522000              0.3013160
                  6.5704440             -0.7605240
                  1.5378300              0.8940710
                  0.6909840              0.4278790
                  0.1349130              0.0101880
                  0.0474420             -0.0024450
            S    8   1.00
                223.8530000             -0.0002290
                 23.0948000              0.0155940
                 14.6522000             -0.0810470
                  6.5704440              0.2272510
                  1.5378300             -0.3625630
                  0.6909840             -0.2507830
                  0.1349130              0.6135330
                  0.0474420              0.5582600
            S    8   1.00
                223.8530000              0.0010770
                 23.0948000             -0.0716490
                 14.6522000              0.2889750
                  6.5704440             -0.7315460
                  1.5378300              1.9768990
                  0.6909840             -1.3519510
                  0.1349130             -1.1186740
                  0.0474420              1.3026160
            S    1   1.00
                  0.0474420              1.0000000
            S    1   1.00
                  0.0167000              1.0000000
            P    7   1.00
                 13.7175000              0.0776160
                  8.4632200             -0.2579430
                  2.1182000              0.5352740
                  0.9892620              0.4963620
                  0.4317810              0.1231090
                  0.1391600              0.0032100
                  0.0461490              0.0003400
            P    7   1.00
                 13.7175000             -0.0180110
                  8.4632200              0.0637170
                  2.1182000             -0.1587410
                  0.9892620             -0.1762800
                  0.4317810              0.0710060
                  0.1391600              0.5775860
                  0.0461490              0.4994910
            P    7   1.00
                 13.7175000             -0.0307300
                  8.4632200              0.1087440
                  2.1182000             -0.2782310
                  0.9892620             -0.3293900
                  0.4317810              0.3546300
                  0.1391600              0.7814580
                  0.0461490              0.0852520
            P    1   1.00
                  0.0461490              1.0000000
            P    1   1.00
                  0.0153000              1.0000000
            D    6   1.00
                 31.6697000              0.0031630
                 12.2214000             -0.0117910
                  3.1219900              0.2411940
                  1.3894100              0.4489980
                  0.5732030              0.3802110
                  0.2117080              0.1445530
            D    6   1.00
                 31.6697000             -0.0048710
                 12.2214000              0.0185820
                  3.1219900             -0.4766730
                  1.3894100             -0.4576040
                  0.5732030              0.5714620
                  0.2117080              0.4973800
            D    1   1.00
                  0.2117080              1.0000000
            D    1   1.00
                  0.0782000              1.0000000
            F    1   1.00
                  1.5393000              1.0000000
            F    1   1.00
                  0.5177000              1.0000000
            ****
            -In     0
            S    8   1.00
                265.1310000              0.0007700
                 25.5694000             -0.0527910
                 16.0041000              0.2593430
                  6.8188500             -0.7392890
                  1.6667600              0.8857730
                  0.7692320              0.4425920
                  0.1704150              0.0115740
                  0.0622300             -0.0024510
            S    8   1.00
                265.1310000             -0.0002300
                 25.5694000              0.0140880
                 16.0041000             -0.0786150
                  6.8188500              0.2528640
                  1.6667600             -0.4155450
                  0.7692320             -0.2966470
                  0.1704150              0.6785780
                  0.0622300              0.5271290
            S    1   1.00
                  0.1704150              1.0000000
            S    1   1.00
                  0.0622300              1.0000000
            S    1   1.00
                  0.0203000              1.0000000
            P    6   1.00
                 14.4691000              0.0901770
                  9.2808300             -0.2676420
                  2.0820100              0.6644830
                  0.8443140              0.4616900
                  0.1869000              0.0270590
                  0.0547770             -0.0046770
            P    6   1.00
                 14.4691000             -0.0190230
                  9.2808300              0.0591570
                  2.0820100             -0.1807490
                  0.8443140             -0.1145820
                  0.1869000              0.4407390
                  0.0547770              0.6877890
            P    1   1.00
                  0.0547770              1.0000000
            P    1   1.00
                  0.0141000              1.0000000
            D    6   1.00
                 30.7879000              0.0057660
                 19.2555000             -0.0107080
                  3.1966200              0.2938600
                  1.3321000              0.5108690
                  0.5046190              0.3415190
                  0.1498000              0.0524650
            D    1   1.00
                  0.1498000              1.0000000
            D    1   1.00
                  0.0472000              1.0000000
            ****
            -Sn     0
            S    8   1.00
                380.3660000              0.0011650
                 28.5822000             -0.0260060
                 17.8892000              0.1660430
                  6.9286200             -0.6589140
                  1.7839100              0.8693360
                  0.8431380              0.4521320
                  0.2052280              0.0129730
                  0.0766360             -0.0024030
            S    8   1.00
                380.3660000             -0.0004420
                 28.5822000              0.0057020
                 17.8892000             -0.0528940
                  6.9286200              0.2520870
                  1.7839100             -0.4703430
                  0.8431380             -0.3161440
                  0.2052280              0.7206250
                  0.0766360              0.5111140
            S    1   1.00
                  0.2052280              1.0000000
            S    1   1.00
                  0.0766360              1.0000000
            S    1   1.00
                  0.0275000              1.0000000
            P    6   1.00
                 18.5489000              0.0370210
                  9.5669600             -0.1938660
                  2.2186100              0.6575940
                  0.9214590              0.4555060
                  0.2178580              0.0272160
                  0.0693200             -0.0046040
            P    6   1.00
                 18.5489000             -0.0090520
                  9.5669600              0.0517620
                  2.2186100             -0.2217430
                  0.9214590             -0.1242790
                  0.2178580              0.5218530
                  0.0693200              0.6099370
            P    1   1.00
                  0.0693200              1.0000000
            P    1   1.00
                  0.0209000              1.0000000
            D    6   1.00
                 38.5626000              0.0042610
                 21.7613000             -0.0068970
                  3.6611100              0.2762770
                  1.5583300              0.5143230
                  0.6095230              0.3445590
                  0.1897000              0.0515940
            D    1   1.00
                  0.1897000              1.0000000
            D    1   1.00
                  0.0649000              1.0000000
            ****
            -Sb     0
            S    8   1.00
                371.5840000              0.0015910
                 26.5392000             -0.0416840
                 16.6213000              0.2733430
                  7.7355100             -0.7676850
                  1.8923400              0.8994960
                  0.9104310              0.4313870
                  0.2442310              0.0128370
                  0.0923970             -0.0021730
            S    8   1.00
                371.5840000              0.0006540
                 26.5392000             -0.0109620
                 16.6213000              0.0938330
                  7.7355100             -0.3040090
                  1.8923400              0.5084090
                  0.9104310              0.3392390
                  0.2442310             -0.7347720
                  0.0923970             -0.5261340
            S    1   1.00
                  0.2442310              1.0000000
            S    1   1.00
                  0.0923970              1.0000000
            S    1   1.00
                  0.0327000              1.0000000
            P    6   1.00
                 16.0509000              0.0921570
                 10.2621000             -0.2755590
                  2.4283200              0.6586400
                  1.0336000              0.4668920
                  0.2594400              0.0285110
                  0.0861080             -0.0051550
            P    6   1.00
                 16.0509000             -0.0253130
                 10.2621000              0.0797960
                  2.4283200             -0.2420940
                  1.0336000             -0.1486050
                  0.2594400              0.5489440
                  0.0861080              0.5892910
            P    1   1.00
                  0.0861080              1.0000000
            P    1   1.00
                  0.0271000              1.0000000
            D    6   1.00
                 45.4785000              0.0032590
                 18.5114000             -0.0054970
                  3.9160000              0.2799530
                  1.7148200              0.5127510
                  0.6973190              0.3328720
                  0.2304000              0.0488430
            D    1   1.00
                  0.2304000              1.0000000
            D    1   1.00
                  0.0802000              1.0000000
            ****
            -Te     0
            S    8   1.00
               2111.1900000              0.0006120
                311.6910000              0.0032070
                 13.8226000              0.4055120
                  8.7174800             -0.9325880
                  1.9830300              0.9196570
                  0.9703770              0.4046710
                  0.2797650              0.0123660
                  0.1067760             -0.0016040
            S    8   1.00
               2111.1900000              0.0002510
                311.6910000              0.0014570
                 13.8226000              0.1637020
                  8.7174800             -0.3984550
                  1.9830300              0.5780740
                  0.9703770              0.3271240
                  0.2797650             -0.7846540
                  0.1067760             -0.4994510
            S    1   1.00
                  0.2797650              1.0000000
            S    1   1.00
                  0.1067760              1.0000000
            S    1   1.00
                  0.0369000              1.0000000
            P    6   1.00
                 17.0629000              0.0893400
                 10.8306000             -0.2711680
                  2.5938000              0.6620230
                  1.1267600              0.4607440
                  0.3001760              0.0288090
                  0.0975510             -0.0038630
            P    6   1.00
                 17.0629000             -0.0268610
                 10.8306000              0.0863040
                  2.5938000             -0.2735020
                  1.1267600             -0.1513900
                  0.3001760              0.5839760
                  0.0975510              0.5650140
            P    1   1.00
                  0.0975510              1.0000000
            P    1   1.00
                  0.0299000              1.0000000
            D    6   1.00
                 50.9106000              0.0033540
                 18.4647000             -0.0036420
                  4.2761700              0.2780800
                  1.8977000              0.5163480
                  0.7864800              0.3265710
                  0.2638000              0.0451520
            D    1   1.00
                  0.2638000              1.0000000
            D    1   1.00
                  0.0988000              1.0000000
            ****
            -I     0
            S    8   1.00
                  2.449790D+03           4.190000D-04
                  3.598080D+02           2.240000D-03
                  1.440580D+01           3.972230D-01
                  9.076320D+00          -9.322490D-01
                  2.088100D+00           9.371380D-01
                  1.034980D+00           3.920860D-01
                  3.162840D-01           1.248500D-02
                  1.217190D-01          -1.329000D-03
            S    8   1.00
                  2.449790D+03           1.750000D-04
                  3.598080D+02           1.057000D-03
                  1.440580D+01           1.690000D-01
                  9.076320D+00          -4.217930D-01
                  2.088100D+00           6.388640D-01
                  1.034980D+00           3.201150D-01
                  3.162840D-01          -8.144280D-01
                  1.217190D-01          -4.897980D-01
            S    1   1.00
                  3.162840D-01           1.000000D+00
            S    1   1.00
                  1.217190D-01           1.000000D+00
            S    1   1.00
                  4.200000D-02           1.0000000
            P    6   1.00
                  1.953010D+01           5.893400D-02
                  1.108820D+01          -2.309300D-01
                  2.715630D+00           6.648010D-01
                  1.204300D+00           4.506730D-01
                  3.399450D-01           2.898000D-02
                  1.108810D-01          -2.889000D-03
            P    6   1.00
                  1.953010D+01          -1.883600D-02
                  1.108820D+01           8.000600D-02
                  2.715630D+00          -3.066520D-01
                  1.204300D+00          -1.475940D-01
                  3.399450D-01           6.075060D-01
                  1.108810D-01           5.470490D-01
            P    1   1.00
                  1.108810D-01           1.000000D+00
            P    1   1.00
                  3.380000D-02           1.0000000
            D    6   1.00
                  4.547650D+01           4.266000D-03
                  1.319280D+01          -1.362500D-02
                  4.227410D+00           3.097560D-01
                  1.942800D+00           5.097720D-01
                  8.397710D-01           2.974610D-01
                  3.000000D-01           4.016400D-02
            D    1   1.00
                  3.000000D-01           1.000000D+00
            D    1   1.00
                  1.191000D-01           1.0000000
            ****
            -Xe     0
            S    8   1.00
               2058.3200000              0.0009380
                307.4270000              0.0044200
                 15.7815000              0.3543950
                  9.5447000             -0.8885140
                  2.2296900              0.9496240
                  1.1120000              0.3810660
                  0.3554300              0.0125430
                  0.1377260             -0.0010730
            S    8   1.00
               2058.3200000             -0.0004380
                307.4270000             -0.0022770
                 15.7815000             -0.1557960
                  9.5447000              0.4175780
                  2.2296900             -0.6793250
                  1.1120000             -0.3183090
                  0.3554300              0.8356730
                  0.1377260              0.4854110
            S    1   1.00
                  0.3554300              1.0000000
            S    1   1.00
                  0.1377260              1.0000000
            S    1   1.00
                  0.0473000              1.0000000
            P    6   1.00
                 20.1725000              0.0687400
                 11.8122000             -0.2446140
                  2.9346000              0.6676480
                  1.3189000              0.4501800
                  0.3858160              0.0286890
                  0.1269610             -0.0034820
            P    6   1.00
                 20.1725000             -0.0229670
                 11.8122000              0.0881150
                  2.9346000             -0.3233110
                  1.3189000             -0.1542280
                  0.3858160              0.6228820
                  0.1269610              0.5375650
            P    1   1.00
                  0.1269610              1.0000000
            P    1   1.00
                  0.0379000              1.0000000
            D    6   1.00
                 52.6666000              0.0048070
                 14.3464000             -0.0045170
                  4.8159700              0.3015100
                  2.2149600              0.5120370
                  0.9611280              0.2990900
                  0.3412000              0.0395700
            D    1   1.00
                  0.3412000              1.0000000
            D    1   1.00
                  0.1404000              1.0000000
            ****
            -Hf     0
            S    7   1.00
                 29.2650000              0.0294330
                 18.3491000             -0.1987340
                 11.5257000              0.4359330
                  4.3859900             -0.7730970
                  0.8910800              0.8677580
                  0.4057400              0.4202920
                  0.0950670              0.0131930
            S    7   1.00
                 29.2650000             -0.0090770
                 18.3491000              0.0611920
                 11.5257000             -0.1354740
                  4.3859900              0.2530470
                  0.8910800             -0.3699320
                  0.4057400             -0.3314430
                  0.0950670              0.6577990
            S    7   1.00
                 29.2650000              0.0309420
                 18.3491000             -0.1631770
                 11.5257000              0.3100050
                  4.3859900             -0.5289420
                  0.8910800              1.2562440
                  0.4057400             -0.4970260
                  0.0950670             -1.8102840
            S    1   1.00
                  0.0358680              1.0000000
            S    1   1.00
                  0.0135000              1.0000000
            P    6   1.00
                  7.1199600              0.1786130
                  4.6018200             -0.5085500
                  2.9004600              0.1812060
                  0.9377910              0.6364370
                  0.3915000              0.4348840
                  0.1071520              0.0442170
            P    6   1.00
                  7.1199600             -0.0485910
                  4.6018200              0.1398590
                  2.9004600             -0.0462230
                  0.9377910             -0.2282940
                  0.3915000             -0.1575630
                  0.1071520              0.5288190
            P    6   1.00
                  7.1199600             -0.0658780
                  4.6018200              0.1871460
                  2.9004600             -0.0488380
                  0.9377910             -0.3615180
                  0.3915000             -0.1743340
                  0.1071520              0.9190410
            P    1   1.00
                  0.0367710              1.0000000
            P    1   1.00
                  0.0126000              1.0000000
            D    5   1.00
                  7.4982700              0.0144910
                  4.6961800             -0.0529680
                  1.0636000              0.2380440
                  0.4188210              0.4352750
                  0.1545660              0.4244200
            D    5   1.00
                  7.4982700             -0.0165460
                  4.6961800              0.0618730
                  1.0636000             -0.3167410
                  0.4188210             -0.5274120
                  0.1545660              0.3428660
            D    1   1.00
                  0.0526440              1.0000000
            D    1   1.00
                  0.0179000              1.0000000
            F    1   1.00
                  0.2700000              1.0000000
            F    1   1.00
                  0.0824000              1.0000000
            ****
            -Ta     0
            S    7   1.00
                 29.8670000              0.0287250
                 18.7203000             -0.1985810
                 11.7533000              0.4482880
                  4.5708900             -0.7983960
                  0.9478400              0.8861040
                  0.4340380              0.4136940
                  0.1050310              0.0121460
            S    7   1.00
                 29.8670000             -0.0091320
                 18.7203000              0.0630170
                 11.7533000             -0.1437480
                  4.5708900              0.2705360
                  0.9478400             -0.4015970
                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/Gau-32512.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_augccpVDZ/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     32533.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=12_L-valine_conformer06_STD_wB97XD_augccpVDZ
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "12_L-valine_conformer06_STD_wB97XD_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 2.457159000000     -0.146332000000     -0.647837000000
  C                                                 1.109574000000     -0.543619000000     -0.050687000000
  C                                                -0.012989000000      0.384911000000     -0.578811000000
  C                                                -1.363704000000     -0.252903000000     -0.259735000000
  O                                                -2.091645000000      0.444358000000      0.645421000000
  C                                                 1.162885000000     -0.565114000000      1.477637000000
  N                                                 0.173654000000      1.758943000000     -0.144286000000
  O                                                -1.758233000000     -1.282971000000     -0.742079000000
  H                                                 0.050109000000      0.366136000000     -1.669549000000
  H                                                 0.854606000000     -1.547323000000     -0.399183000000
  H                                                -2.909790000000     -0.057734000000      0.787298000000
  H                                                -0.455006000000      2.381115000000     -0.636018000000
  H                                                -0.032228000000      1.857361000000      0.841913000000
  H                                                 1.451195000000      0.409891000000      1.876513000000
  H                                                 0.203705000000     -0.845376000000      1.918080000000
  H                                                 1.905982000000     -1.287391000000      1.818568000000
  H                                                 2.716265000000      0.875135000000     -0.368973000000
  H                                                 3.243945000000     -0.813424000000     -0.290625000000
  H                                                 2.437115000000     -0.203744000000     -1.738160000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          16          12          14          16           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  14.0030740  15.9949146   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           2           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   4.5500000   5.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   7.0000000   8.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Fri Aug 13 10:47:05 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526568   0.000000
     3  C    2.527571   1.549590   0.000000
     4  C    3.842001   2.499064   1.527432   0.000000
     5  O    4.765821   3.421764   2.413108   1.354761   0.000000
     6  C    2.523522   1.529405   2.552294   3.082140   3.507646
     7  N    3.016294   2.487267   1.453139   2.534625   2.735571
     8  O    4.366962   3.041214   2.419579   1.203889   2.240532
     9  H    2.664659   2.137951   1.092723   2.090371   3.154729
    10  H    2.143077   1.092648   2.125680   2.572133   3.706533
    11  H    5.556222   4.134440   3.233210   1.877432   0.970354
    12  H    3.856013   3.368173   2.045356   2.811649   2.841074
    13  H    3.525789   2.804488   2.046200   2.727576   2.505271
    14  H    2.773750   2.177151   2.858859   3.595345   3.750799
    15  H    3.485778   2.188081   2.791958   2.747849   2.924330
    16  H    2.772898   2.163695   3.496637   4.010032   4.511790
    17  H    1.090090   2.166939   2.780859   4.234448   4.932602
    18  H    1.091625   2.164695   3.482338   4.641720   5.561180
    19  H    1.092017   2.173809   2.773737   4.078527   5.158601
                    6          7          8          9         10
     6  C    0.000000
     7  N    3.001742   0.000000
     8  O    3.738367   3.652778   0.000000
     9  H    3.465585   2.069203   2.617223   0.000000
    10  H    2.140613   3.385271   2.648469   2.433592   0.000000
    11  H    4.161813   3.698079   2.272946   3.869983   4.218683
    12  H    3.970563   1.011984   3.890395   2.320230   4.147746
    13  H    2.775036   1.012256   3.917883   2.921981   3.730773
    14  H    1.092181   2.745119   4.474733   3.813071   3.060294
    15  H    1.092045   3.322158   3.334237   3.789780   2.507212
    16  H    1.090922   4.016703   4.470280   4.283150   2.468071
    17  H    2.810209   2.701198   4.981743   3.009812   3.055322
    18  H    2.742119   4.008138   5.044410   3.673334   2.501866
    19  H    3.477873   3.393498   4.444981   2.455050   2.470303
                   11         12         13         14         15
    11  H    0.000000
    12  H    3.741628   0.000000
    13  H    3.457012   1.623989   0.000000
    14  H    4.519209   3.719158   2.316487   0.000000
    15  H    3.404835   4.167441   2.918662   1.770213   0.000000
    16  H    5.076144   5.005716   3.820992   1.758111   1.761541
    17  H    5.818909   3.520831   3.159941   2.618981   3.808376
    18  H    6.292967   4.899655   4.375962   3.067073   3.757986
    19  H    5.915120   4.032441   4.123419   3.796636   4.332194
                   16         17         18         19
    16  H    0.000000
    17  H    3.180945   0.000000
    18  H    2.542338   1.770824   0.000000
    19  H    3.755890   1.765383   1.765798   0.000000
 Stoichiometry    C5H11NO2
 Framework group  C1[X(C5H11NO2)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.57D-15
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        2.457159   -0.146332   -0.647837
      2          6           0        1.109574   -0.543619   -0.050687
      3          6           0       -0.012989    0.384911   -0.578811
      4          6           0       -1.363704   -0.252903   -0.259735
      5          8           0       -2.091645    0.444358    0.645421
      6          6           0        1.162885   -0.565114    1.477637
      7          7           0        0.173654    1.758943   -0.144286
      8          8           0       -1.758233   -1.282971   -0.742079
      9          1           0        0.050109    0.366136   -1.669549
     10          1           0        0.854606   -1.547323   -0.399183
     11          1           0       -2.909790   -0.057734    0.787298
     12          1           0       -0.455006    2.381115   -0.636018
     13          1           0       -0.032228    1.857361    0.841913
     14          1           0        1.451195    0.409891    1.876513
     15          1           0        0.203705   -0.845376    1.918080
     16          1           0        1.905982   -1.287391    1.818568
     17          1           0        2.716265    0.875135   -0.368973
     18          1           0        3.243945   -0.813424   -0.290625
     19          1           0        2.437115   -0.203744   -1.738160
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.9902404           1.4258101           1.3186332
 Leave Link  202 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     16     17     18
 Centers:      19
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      6
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       5      8
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  24 primitive shells out of 312 were deleted.
 There are   299 symmetry adapted cartesian basis functions of A   symmetry.
 There are   283 symmetry adapted basis functions of A   symmetry.
   283 basis functions,   508 primitive gaussians,   299 cartesian basis functions
    32 alpha electrons       32 beta electrons
       nuclear repulsion energy       407.7550570018 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0119493561 Hartrees.
 Nuclear repulsion after empirical dispersion term =      407.7431076457 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:              17.1 elap:               2.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   283 RedAO= T EigKep=  6.91D-06  NBF=   283
 NBsUse=   283 1.00D-06 EigRej= -1.00D+00 NBFU=   283
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   299   299   299   299   299 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.8 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "12_L-valine_conformer06_STD_wB97XD_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000   -0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:11 2021, MaxMem=  5368709120 cpu:               3.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368524961 LenY=  5368435119
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -402.307950127423    
 DIIS: error= 2.20D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -402.307950127423     IErMin= 1 ErrMin= 2.20D-03
 ErrMax= 2.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.50D-03 BMatP= 5.50D-03
 IDIUse=3 WtCom= 9.78D-01 WtEn= 2.20D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.401 Goal=   None    Shift=    0.000
 GapD=    0.401 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=1.07D-02 MaxDP=1.11D+00              OVMax= 1.32D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  1.05D-02    CP:  1.07D+00
 E= -402.312558694007     Delta-E=       -0.004608566583 Rises=F Damp=F
 DIIS: error= 3.12D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -402.312558694007     IErMin= 2 ErrMin= 3.12D-04
 ErrMax= 3.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.08D-04 BMatP= 5.50D-03
 IDIUse=3 WtCom= 9.97D-01 WtEn= 3.12D-03
 Coeff-Com: -0.483D-01 0.105D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.481D-01 0.105D+01
 Gap=     0.362 Goal=   None    Shift=    0.000
 RMSDP=1.67D-03 MaxDP=1.59D-01 DE=-4.61D-03 OVMax= 4.98D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.13D-04    CP:  1.08D+00  1.14D+00
 E= -402.312681100896     Delta-E=       -0.000122406889 Rises=F Damp=F
 DIIS: error= 3.93D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -402.312681100896     IErMin= 2 ErrMin= 3.12D-04
 ErrMax= 3.93D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.38D-05 BMatP= 1.08D-04
 IDIUse=3 WtCom= 9.96D-01 WtEn= 3.93D-03
 Coeff-Com: -0.419D-01 0.509D+00 0.532D+00
 Coeff-En:   0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.417D-01 0.507D+00 0.534D+00
 Gap=     0.362 Goal=   None    Shift=    0.000
 RMSDP=1.48D-04 MaxDP=9.15D-03 DE=-1.22D-04 OVMax= 1.52D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.74D-05    CP:  1.08D+00  1.15D+00  1.12D+00
 E= -402.312739523373     Delta-E=       -0.000058422477 Rises=F Damp=F
 DIIS: error= 5.69D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -402.312739523373     IErMin= 4 ErrMin= 5.69D-05
 ErrMax= 5.69D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.53D-06 BMatP= 8.38D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.193D-02-0.306D-01 0.968D-01 0.936D+00
 Coeff:     -0.193D-02-0.306D-01 0.968D-01 0.936D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.16D-04 MaxDP=8.24D-03 DE=-5.84D-05 OVMax= 8.86D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.03D-05    CP:  1.08D+00  1.16D+00  1.24D+00  1.47D+00
 E= -402.312742738221     Delta-E=       -0.000003214848 Rises=F Damp=F
 DIIS: error= 2.96D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -402.312742738221     IErMin= 5 ErrMin= 2.96D-05
 ErrMax= 2.96D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.92D-07 BMatP= 2.53D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.281D-02-0.613D-01-0.370D-02 0.466D+00 0.597D+00
 Coeff:      0.281D-02-0.613D-01-0.370D-02 0.466D+00 0.597D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.39D-05 MaxDP=1.87D-03 DE=-3.21D-06 OVMax= 2.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.29D-06    CP:  1.08D+00  1.16D+00  1.26D+00  1.63D+00  1.17D+00
 E= -402.312743524128     Delta-E=       -0.000000785907 Rises=F Damp=F
 DIIS: error= 8.05D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -402.312743524128     IErMin= 6 ErrMin= 8.05D-06
 ErrMax= 8.05D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.81D-08 BMatP= 8.92D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.155D-02-0.243D-01-0.137D-01 0.973D-01 0.271D+00 0.668D+00
 Coeff:      0.155D-02-0.243D-01-0.137D-01 0.973D-01 0.271D+00 0.668D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=7.14D-06 MaxDP=4.97D-04 DE=-7.86D-07 OVMax= 1.14D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  2.64D-06    CP:  1.08D+00  1.16D+00  1.27D+00  1.68D+00  1.25D+00
                    CP:  1.18D+00
 E= -402.312743607371     Delta-E=       -0.000000083244 Rises=F Damp=F
 DIIS: error= 2.77D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -402.312743607371     IErMin= 7 ErrMin= 2.77D-06
 ErrMax= 2.77D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.79D-09 BMatP= 8.81D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.447D-04 0.192D-02-0.313D-02-0.423D-01-0.114D-02 0.227D+00
 Coeff-Com:  0.818D+00
 Coeff:      0.447D-04 0.192D-02-0.313D-02-0.423D-01-0.114D-02 0.227D+00
 Coeff:      0.818D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.80D-06 MaxDP=2.19D-04 DE=-8.32D-08 OVMax= 5.71D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.32D-06    CP:  1.08D+00  1.16D+00  1.27D+00  1.70D+00  1.29D+00
                    CP:  1.22D+00  1.22D+00
 E= -402.312743619224     Delta-E=       -0.000000011852 Rises=F Damp=F
 DIIS: error= 6.24D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -402.312743619224     IErMin= 8 ErrMin= 6.24D-07
 ErrMax= 6.24D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.10D-10 BMatP= 7.79D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.107D-03 0.235D-02 0.338D-03-0.189D-01-0.224D-01-0.127D-01
 Coeff-Com:  0.192D+00 0.859D+00
 Coeff:     -0.107D-03 0.235D-02 0.338D-03-0.189D-01-0.224D-01-0.127D-01
 Coeff:      0.192D+00 0.859D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=7.17D-07 MaxDP=3.67D-05 DE=-1.19D-08 OVMax= 1.95D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  3.67D-07    CP:  1.08D+00  1.16D+00  1.27D+00  1.70D+00  1.29D+00
                    CP:  1.23D+00  1.31D+00  1.17D+00
 E= -402.312743620199     Delta-E=       -0.000000000976 Rises=F Damp=F
 DIIS: error= 1.70D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -402.312743620199     IErMin= 9 ErrMin= 1.70D-07
 ErrMax= 1.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.55D-11 BMatP= 5.10D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.308D-04 0.428D-03 0.363D-03-0.921D-03-0.440D-02-0.244D-01
 Coeff-Com: -0.220D-01 0.197D+00 0.854D+00
 Coeff:     -0.308D-04 0.428D-03 0.363D-03-0.921D-03-0.440D-02-0.244D-01
 Coeff:     -0.220D-01 0.197D+00 0.854D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.82D-07 MaxDP=1.95D-05 DE=-9.76D-10 OVMax= 5.60D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.20D-07    CP:  1.08D+00  1.16D+00  1.27D+00  1.70D+00  1.29D+00
                    CP:  1.23D+00  1.33D+00  1.24D+00  1.05D+00
 E= -402.312743620305     Delta-E=       -0.000000000106 Rises=F Damp=F
 DIIS: error= 5.55D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -402.312743620305     IErMin=10 ErrMin= 5.55D-08
 ErrMax= 5.55D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.64D-12 BMatP= 4.55D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.679D-05-0.203D-03 0.154D-04 0.207D-02 0.221D-02-0.345D-02
 Coeff-Com: -0.259D-01-0.582D-01 0.175D+00 0.909D+00
 Coeff:      0.679D-05-0.203D-03 0.154D-04 0.207D-02 0.221D-02-0.345D-02
 Coeff:     -0.259D-01-0.582D-01 0.175D+00 0.909D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=1.11D-07 MaxDP=7.10D-06 DE=-1.06D-10 OVMax= 2.12D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  4.06D-08    CP:  1.08D+00  1.16D+00  1.27D+00  1.70D+00  1.29D+00
                    CP:  1.23D+00  1.33D+00  1.24D+00  1.14D+00  1.21D+00
 E= -402.312743620307     Delta-E=       -0.000000000002 Rises=F Damp=F
 DIIS: error= 2.15D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -402.312743620307     IErMin=11 ErrMin= 2.15D-08
 ErrMax= 2.15D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.47D-13 BMatP= 4.64D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.452D-05-0.955D-04-0.274D-04 0.688D-03 0.105D-02 0.939D-03
 Coeff-Com: -0.636D-02-0.354D-01-0.255D-01 0.253D+00 0.812D+00
 Coeff:      0.452D-05-0.955D-04-0.274D-04 0.688D-03 0.105D-02 0.939D-03
 Coeff:     -0.636D-02-0.354D-01-0.255D-01 0.253D+00 0.812D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=2.18D-08 MaxDP=1.25D-06 DE=-2.05D-12 OVMax= 6.90D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  1.20D-08    CP:  1.08D+00  1.16D+00  1.27D+00  1.70D+00  1.29D+00
                    CP:  1.23D+00  1.33D+00  1.24D+00  1.14D+00  1.30D+00
                    CP:  1.07D+00
 E= -402.312743620327     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 7.94D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -402.312743620327     IErMin=12 ErrMin= 7.94D-09
 ErrMax= 7.94D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.12D-14 BMatP= 5.47D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.259D-06 0.300D-05-0.902D-05-0.107D-03-0.831D-05 0.623D-03
 Coeff-Com:  0.183D-02-0.605D-04-0.241D-01-0.594D-01 0.192D+00 0.889D+00
 Coeff:      0.259D-06 0.300D-05-0.902D-05-0.107D-03-0.831D-05 0.623D-03
 Coeff:      0.183D-02-0.605D-04-0.241D-01-0.594D-01 0.192D+00 0.889D+00
 Gap=     0.361 Goal=   None    Shift=    0.000
 RMSDP=6.97D-09 MaxDP=4.84D-07 DE=-1.97D-11 OVMax= 2.53D-07

 SCF Done:  E(RwB97XD) =  -402.312743620     A.U. after   12 cycles
            NFock= 12  Conv=0.70D-08     -V/T= 2.0063
 KE= 3.998073541993D+02 PE=-1.754755933984D+03 EE= 5.448927285187D+02
 Leave Link  502 at Fri Aug 13 10:50:30 2021, MaxMem=  5368709120 cpu:            1592.2 elap:             199.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   283
 NBasis=   283 NAE=    32 NBE=    32 NFC=     0 NFV=     0
 NROrb=    283 NOA=    32 NOB=    32 NVA=   251 NVB=   251

 **** Warning!!: The largest alpha MO coefficient is  0.66808686D+02

 Leave Link  801 at Fri Aug 13 10:50:31 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5894 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.34D-13 8.33D-09 XBig12= 1.00D+00 1.78D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.34D-13 8.33D-09 XBig12= 1.82D-01 5.20D-02.
     11 vectors produced by pass  2 Test12= 1.34D-13 8.33D-09 XBig12= 2.14D-02 2.48D-02.
     11 vectors produced by pass  3 Test12= 1.34D-13 8.33D-09 XBig12= 2.01D-03 1.01D-02.
     11 vectors produced by pass  4 Test12= 1.34D-13 8.33D-09 XBig12= 1.34D-04 2.00D-03.
     11 vectors produced by pass  5 Test12= 1.34D-13 8.33D-09 XBig12= 3.87D-06 2.24D-04.
     11 vectors produced by pass  6 Test12= 1.34D-13 8.33D-09 XBig12= 1.02D-07 4.29D-05.
     11 vectors produced by pass  7 Test12= 1.34D-13 8.33D-09 XBig12= 2.73D-09 5.97D-06.
     11 vectors produced by pass  8 Test12= 1.34D-13 8.33D-09 XBig12= 5.72D-11 8.70D-07.
      8 vectors produced by pass  9 Test12= 1.34D-13 8.33D-09 XBig12= 8.14D-13 9.70D-08.
      2 vectors produced by pass 10 Test12= 1.34D-13 8.33D-09 XBig12= 1.19D-14 1.26D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.20D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.880603D+02
      2  0.110729D+01  0.769830D+02
      3 -0.236634D+01  0.189495D+01  0.744314D+02
 Isotropic polarizability for W=    0.088559       79.82 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1   0.713063D+02 -0.191724D+02  0.423915D+01
      2  -0.389358D+02  0.217651D+02 -0.109971D+02
      3  -0.323705D+02 -0.259278D+01  0.675798D+01
      4  -0.210326D+02  0.419116D+02 -0.189412D+02
      5   0.105926D+02 -0.217747D+02  0.651019D+02
      6  -0.552085D+01  0.546758D+00 -0.891900D+01
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.555842D+00 -0.107631D+01  0.129231D+01
      2   0.596600D+01 -0.717518D+01  0.339992D+02
      3   0.566221D+01 -0.255832D+02  0.806717D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.283348D+01  0.115439D+02  0.632622D+01
      2  -0.635346D+01 -0.134203D+02  0.974723D+02
      3  -0.186022D+01 -0.808474D+02  0.162538D+02
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.262376D+00 -0.573621D+00 -0.118038D+01
      2  -0.573621D+00  0.400580D+00 -0.258711D-01
      3  -0.118038D+01 -0.258711D-01  0.197941D+00
 OR G Eigenvalues:    -1.3580     0.3806     1.3136  Iso=    -0.1120
 Eigenvectors:
   (1)   0.767438   0.258952   0.586500
   (2)   0.051604   0.886884  -0.459102
   (3)  -0.639043   0.382598   0.667265
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1120 au.
 Molar Mass =    117.1474 grams/mole, [Alpha] ( 5145.0 A) =      -48.50 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   40186 ScalPx= 9.85D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 6.39D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.23D-14 2.78D-09 XBig12= 1.00D+00 3.40D-01.
     30 vectors produced by pass  1 Test12= 2.23D-14 2.78D-09 XBig12= 2.80D-02 2.54D-02.
     30 vectors produced by pass  2 Test12= 2.23D-14 2.78D-09 XBig12= 8.93D-04 3.17D-03.
     30 vectors produced by pass  3 Test12= 2.23D-14 2.78D-09 XBig12= 1.17D-05 5.11D-04.
     30 vectors produced by pass  4 Test12= 2.23D-14 2.78D-09 XBig12= 1.67D-07 3.93D-05.
     30 vectors produced by pass  5 Test12= 2.23D-14 2.78D-09 XBig12= 1.66D-09 3.94D-06.
     30 vectors produced by pass  6 Test12= 2.23D-14 2.78D-09 XBig12= 1.26D-11 3.50D-07.
     30 vectors produced by pass  7 Test12= 2.23D-14 2.78D-09 XBig12= 7.58D-14 2.25D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.78D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 8.58D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   40186 ScalPx= 8.58D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   40186 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 3.07D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880603D+02  0.110729D+01 -0.236634D+01
      2   0.110729D+01  0.769830D+02  0.189495D+01
      3  -0.236634D+01  0.189495D+01  0.744314D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.555842D+00 -0.107631D+01  0.129231D+01
      2   0.596600D+01 -0.717518D+01  0.339992D+02
      3   0.566221D+01 -0.255832D+02  0.806717D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.713063D+02 -0.191724D+02  0.423915D+01
      2  -0.389358D+02  0.217651D+02 -0.109971D+02
      3  -0.323705D+02 -0.259278D+01  0.675798D+01
      4  -0.210326D+02  0.419116D+02 -0.189412D+02
      5   0.105926D+02 -0.217747D+02  0.651019D+02
      6  -0.552085D+01  0.546758D+00 -0.891900D+01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.400724D+00  0.301009D+01 -0.346021D+01  0.445211D+01 -0.355871D+01
      2   0.301009D+01 -0.285218D+01  0.116395D+00 -0.355871D+01 -0.322038D+01
      3  -0.346021D+01  0.116395D+00  0.824172D+00 -0.496725D-02 -0.208293D+01
                 6             7             8             9            10 
      1  -0.496725D-02 -0.455164D+01  0.383240D+00 -0.538796D+00  0.163642D+01
      2  -0.208293D+01  0.383240D+00 -0.207041D+01  0.229592D+00 -0.252139D+01
      3   0.583523D+00 -0.538796D+00  0.229592D+00  0.743930D+01  0.412185D+01
                11            12            13            14            15 
      1  -0.252139D+01  0.412185D+01 -0.621371D+01  0.281510D+01  0.177465D+00
      2   0.313867D+01  0.260309D+00  0.281510D+01  0.413630D+01  0.274160D+01
      3   0.260309D+00 -0.529974D+00  0.177465D+00  0.274160D+01  0.487533D+00
                16            17            18            19            20 
      1   0.568345D+01  0.163967D+00  0.108017D+00 -0.259973D+01  0.364175D+01
      2   0.163967D+00  0.272231D+01  0.116041D+01  0.364175D+01 -0.754565D+00
      3   0.108017D+00  0.116041D+01 -0.576414D+01 -0.240961D+01  0.829953D-01
                21            22            23            24            25 
      1  -0.240961D+01  0.634775D+01 -0.426931D+00  0.704214D-01 -0.234153D+01
      2   0.829953D-01 -0.426931D+00 -0.152164D+01 -0.124220D+01  0.163595D+00
      3  -0.538975D+00  0.704214D-01 -0.124220D+01  0.117746D+01 -0.812322D+00
                26            27            28            29            30 
      1   0.163595D+00 -0.812322D+00 -0.159449D+01 -0.162645D+01  0.130154D+01
      2  -0.145803D+01  0.987101D-01 -0.162645D+01  0.503063D+00  0.164704D+01
      3   0.987101D-01  0.614337D+01  0.130154D+01  0.164704D+01  0.366882D+00
                31            32            33            34            35 
      1   0.217640D+01  0.124623D+01  0.161490D+01  0.155089D+01  0.226240D+01
      2   0.124623D+01  0.299616D+01  0.169309D+01  0.226240D+01  0.224503D+01
      3   0.161490D+01  0.169309D+01  0.827715D+00  0.594425D+00  0.988474D-01
                36            37            38            39            40 
      1   0.594425D+00  0.463135D+01  0.306096D+01 -0.849194D+00  0.481090D+01
      2   0.988474D-01  0.306096D+01  0.203457D+00 -0.807968D+00 -0.801622D+00
      3  -0.103830D-01 -0.849194D+00 -0.807968D+00  0.681271D+00 -0.163462D+01
                41            42            43            44            45 
      1  -0.801622D+00 -0.163462D+01  0.190639D+00 -0.127595D+01 -0.679761D+00
      2   0.310750D+01  0.802161D+00 -0.127595D+01  0.377964D+00  0.133361D+01
      3   0.802161D+00  0.156978D+01 -0.679761D+00  0.133361D+01  0.272897D+01
                46            47            48            49            50 
      1   0.149631D+01  0.343521D+01 -0.441760D+01  0.358669D+01 -0.321115D+01
      2   0.343521D+01 -0.304735D+01  0.102604D+00 -0.321115D+01 -0.194669D+01
      3  -0.441760D+01  0.102604D+00  0.468640D+00  0.781728D-01 -0.364722D+01
                51            52            53            54            55 
      1   0.781728D-01 -0.345995D+01 -0.111580D+00  0.311343D+00  0.280992D+01
      2  -0.364722D+01 -0.111580D+00 -0.285680D+01 -0.670172D+00 -0.172073D+01
      3   0.120034D+00  0.311343D+00 -0.670172D+00  0.403547D+01  0.113796D+01
                56            57            58            59            60 
      1  -0.172073D+01  0.113796D+01 -0.103867D+01  0.320238D+01 -0.745256D+00
      2   0.385057D+01 -0.743845D+00  0.320238D+01  0.270073D+01  0.116281D+01
      3  -0.743845D+00  0.205054D+01 -0.745256D+00  0.116281D+01 -0.994507D+00
                61            62            63            64            65 
      1   0.145164D+01 -0.952817D+00  0.224095D+01 -0.319828D+01 -0.300558D+01
      2  -0.952817D+00  0.135563D+01 -0.656035D+00 -0.300558D+01 -0.243261D+01
      3   0.224095D+01 -0.656035D+00 -0.354701D+01 -0.189048D+01 -0.133587D+01
                66            67            68            69            70 
      1  -0.189048D+01 -0.567614D+01 -0.308750D+01 -0.110795D+01 -0.275885D+01
      2  -0.133587D+01 -0.308750D+01 -0.928464D+01 -0.273845D+01 -0.134093D+01
      3  -0.119790D+01 -0.110795D+01 -0.273845D+01 -0.273971D+01 -0.182526D+01
                71            72            73            74            75 
      1  -0.134093D+01 -0.182526D+01  0.572492D+00 -0.389899D+00 -0.850500D+00
      2  -0.256731D+01 -0.286033D+01 -0.389899D+00  0.245445D+00 -0.112653D+00
      3  -0.286033D+01 -0.376704D+01 -0.850500D+00 -0.112653D+00  0.327296D+00
                76            77            78            79            80 
      1  -0.108327D+01  0.164675D+00 -0.191515D-02 -0.150181D+01 -0.106670D+00
      2   0.164675D+00  0.549702D+00 -0.103671D+01 -0.106670D+00 -0.140282D+01
      3  -0.191515D-02 -0.103671D+01 -0.403961D-01  0.178471D+00  0.478055D+00
                81            82            83            84            85 
      1   0.178471D+00 -0.118639D+01 -0.727106D+00 -0.950508D+00 -0.108576D+01
      2   0.478055D+00 -0.727106D+00 -0.979982D+00 -0.257727D-01 -0.873849D+00
      3  -0.841228D+01 -0.950508D+00 -0.257727D-01 -0.249821D+00 -0.836724D-01
                86            87            88            89            90 
      1  -0.873849D+00 -0.836724D-01 -0.139588D+01 -0.100399D+00 -0.103866D+00
      2  -0.676485D+01 -0.163915D+01 -0.100399D+00 -0.166755D+01 -0.148538D+01
      3  -0.163915D+01 -0.179873D+01 -0.103866D+00 -0.148538D+01 -0.554262D+00
                91            92            93            94            95 
      1  -0.876315D+01 -0.993358D+00  0.256596D+01 -0.380886D+01 -0.146115D+01
      2  -0.993358D+00 -0.138390D+01  0.160522D+00 -0.146115D+01 -0.682990D+00
      3   0.256596D+01  0.160522D+00 -0.179910D+01  0.130753D+01  0.522501D+00
                96            97            98            99           100 
      1   0.130753D+01  0.169880D+01  0.285334D+00 -0.136872D+01 -0.170479D+01
      2   0.522501D+00  0.285334D+00  0.474804D+00 -0.106656D+00  0.248104D+01
      3  -0.854046D+00 -0.136872D+01 -0.106656D+00  0.127551D+01 -0.104774D+01
               101           102           103           104           105 
      1   0.248104D+01 -0.104774D+01  0.231491D+01 -0.271886D+01  0.949293D+00
      2  -0.319762D+01  0.113754D+01 -0.271886D+01  0.506784D+01 -0.146112D+01
      3   0.113754D+01 -0.107066D+01  0.949293D+00 -0.146112D+01  0.126732D+01
               106           107           108           109           110 
      1  -0.177414D+01  0.147368D+01 -0.118862D+01 -0.790155D-01  0.510525D+00
      2   0.147368D+01 -0.255644D+01  0.159787D+01  0.510525D+00 -0.162443D+00
      3  -0.118862D+01  0.159787D+01 -0.144703D+01  0.223726D+00 -0.341938D+00
               111           112           113           114           115 
      1   0.223726D+00  0.374725D+00 -0.139657D+00 -0.367521D+00  0.103854D+01
      2  -0.341938D+00 -0.139657D+00  0.107711D+01  0.845880D+00 -0.517279D+00
      3  -0.678343D+00 -0.367521D+00  0.845880D+00  0.869835D+00 -0.745716D+00
               116           117           118           119           120 
      1  -0.517279D+00 -0.745716D+00  0.885151D+00  0.638849D+00  0.111586D+01
      2   0.214770D+01  0.139142D+01  0.638849D+00  0.127569D+01  0.535418D+00
      3   0.139142D+01  0.531073D+01  0.111586D+01  0.535418D+00  0.992995D+00
               121           122           123           124           125 
      1   0.134962D+01  0.115172D+01  0.866587D+00  0.940543D+00  0.421330D+00
      2   0.115172D+01  0.466161D+01  0.217485D+01  0.421330D+00  0.172561D+01
      3   0.866587D+00  0.217485D+01  0.310782D+01  0.543547D+00  0.151258D+01
               126           127           128           129           130 
      1   0.543547D+00 -0.541930D+01 -0.133949D+01  0.237917D+01 -0.129923D+01
      2   0.151258D+01 -0.133949D+01 -0.112330D+01  0.944781D+00 -0.630454D+00
      3   0.193199D+01  0.237917D+01  0.944781D+00 -0.331141D+01  0.592334D+00
               131           132           133           134           135 
      1  -0.630454D+00  0.592334D+00  0.176924D+01  0.558117D+00 -0.182966D+01
      2  -0.911904D+00  0.123602D+01  0.558117D+00  0.956906D+00 -0.709339D+00
      3   0.123602D+01 -0.109102D+01 -0.182966D+01 -0.709339D+00  0.234796D+01
               136           137           138           139           140 
      1   0.386556D+01 -0.257584D+01  0.238030D+01 -0.286282D+01  0.256440D+01
      2  -0.257584D+01  0.262438D+01 -0.137487D+01  0.256440D+01 -0.341884D+01
      3   0.238030D+01 -0.137487D+01  0.228930D+01 -0.139144D+01  0.227116D+01
               141           142           143           144           145 
      1  -0.139144D+01  0.141149D+01 -0.912338D+00  0.145294D+01  0.127377D+01
      2   0.227116D+01 -0.912338D+00  0.152829D+01 -0.136174D+01  0.125085D+01
      3  -0.224342D+01  0.145294D+01 -0.136174D+01  0.177807D+01  0.446942D+00
               146           147           148           149           150 
      1   0.125085D+01  0.446942D+00  0.294112D+01  0.220549D+01 -0.130647D+00
      2   0.161005D+01  0.638305D-01  0.220549D+01  0.572270D+01  0.619839D+00
      3   0.638305D-01  0.295297D+00 -0.130647D+00  0.619839D+00  0.133794D+01
               151           152           153           154           155 
      1   0.128206D+01  0.326408D+00  0.482507D+00  0.672207D+01 -0.287706D+01
      2   0.326408D+00  0.116576D+01  0.785788D+00 -0.287706D+01  0.225669D+01
      3   0.482507D+00  0.785788D+00 -0.117177D+00  0.909940D+00 -0.361079D+00
               156           157           158           159           160 
      1   0.909940D+00 -0.473480D+01  0.291089D+01 -0.261106D+00  0.280867D+01
      2  -0.361079D+00  0.291089D+01 -0.240391D+01  0.618768D+00 -0.751182D+00
      3   0.101854D+01 -0.261106D+00  0.618768D+00 -0.113392D+01  0.112332D+01
               161           162           163           164           165 
      1  -0.751182D+00  0.112332D+01  0.251371D+00 -0.252370D+00 -0.707408D+00
      2   0.996999D+00 -0.723759D+00 -0.252370D+00  0.225934D+00  0.525564D-01
      3  -0.723759D+00  0.206250D+00 -0.707408D+00  0.525564D-01  0.612423D-01
               166           167           168           169           170 
      1  -0.550979D+00  0.648997D+00  0.723947D-01 -0.204217D+01  0.310794D-01
      2   0.648997D+00  0.136207D+00 -0.840887D+00  0.310794D-01 -0.111763D+01
      3   0.723947D-01 -0.840887D+00 -0.453197D+00  0.205720D+01 -0.113473D+00
               171 
      1   0.205720D+01
      2  -0.113473D+00
      3  -0.957830D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284682D+01  0.231044D+01  0.205011D+00  0.335107D+01  0.228203D+01
      2  -0.929298D+01  0.290931D+01  0.539725D+00  0.386431D+01 -0.862153D+01
      3  -0.813880D+01  0.572959D+01  0.608205D+00  0.131186D+02  0.108687D+02
                 6             7             8             9            10 
      1  -0.359374D+00  0.718119D+00  0.311552D+01 -0.434135D+00  0.353322D+01
      2   0.125461D+01 -0.896174D+01  0.884128D+00  0.214049D+02  0.796367D+01
      3   0.489708D+01 -0.108863D+01  0.594291D+01 -0.124953D+01  0.367816D+01
                11            12            13            14            15 
      1  -0.424206D+00 -0.641392D-01 -0.729347D+00  0.319910D+01 -0.418246D+01
      2  -0.808384D+00  0.413198D+01 -0.419415D+01  0.354710D+01  0.140561D+00
      3  -0.384208D+01 -0.138051D+01  0.153685D+01 -0.915045D+01 -0.423925D+01
                16            17            18            19            20 
      1  -0.498822D+00  0.223801D+01 -0.315195D+01 -0.407864D+01  0.376267D+00
      2  -0.229199D+01  0.130901D+01 -0.607462D+01 -0.777038D-01  0.865026D+00
      3  -0.825884D+00 -0.346114D+01 -0.207851D+00  0.716626D-01 -0.431758D+01
                21            22            23            24            25 
      1  -0.116791D+01 -0.114193D+01  0.127481D+01  0.247167D+01 -0.224758D+00
      2   0.198288D+00  0.695694D+01 -0.505723D+00  0.122813D+01 -0.661182D+01
      3   0.139889D+01  0.873463D+00  0.742168D-02  0.290813D+01 -0.113100D+01
                26            27            28            29            30 
      1   0.537195D+01 -0.185991D+01  0.101160D+01  0.467008D+00  0.211698D+01
      2  -0.346913D+00 -0.251319D+01 -0.980549D+01 -0.794999D+00 -0.266802D+01
      3   0.132242D+01  0.176001D-01 -0.584859D+01  0.174276D+01 -0.158774D+01
                31            32            33            34            35 
      1   0.250924D+01 -0.646827D+01  0.800757D+00 -0.232688D+01  0.207573D+01
      2   0.894349D+01 -0.732980D+00 -0.492080D+01 -0.119823D+02 -0.299883D+01
      3   0.528988D+01  0.101681D+02 -0.236245D+00 -0.574444D+01 -0.247134D+01
                36            37            38            39            40 
      1   0.811946D+01  0.849630D+00 -0.645718D-01  0.154099D+01  0.190411D+01
      2   0.400412D+01  0.132798D+01  0.876286D-01  0.196053D+01 -0.641493D+00
      3   0.180667D+01  0.579569D+01 -0.144568D+01 -0.936781D+00  0.435608D+01
                41            42            43            44            45 
      1   0.267074D+01 -0.269662D+01  0.104250D+01  0.349210D+01 -0.168792D+01
      2  -0.350838D+01 -0.325423D+01 -0.115049D+01 -0.294531D+01 -0.736952D+01
      3   0.896318D+01  0.150213D+01  0.223926D+01  0.244916D+01  0.201916D+01
                46            47            48            49            50 
      1   0.345803D+01 -0.589995D+01  0.779057D+00 -0.598416D+01 -0.612566D+01
      2  -0.101967D+02 -0.675987D+01  0.125731D+02 -0.505219D+01  0.737257D+00
      3  -0.612439D+01 -0.190569D+00  0.267402D+01  0.381492D+01  0.504388D+01
                51            52            53            54            55 
      1  -0.109446D+02 -0.341706D-01 -0.463375D+01  0.285514D+01 -0.168258D+01
      2  -0.310530D+00  0.562478D+01 -0.551820D+00  0.371638D+01  0.946414D+00
      3   0.466271D+01  0.245319D+01  0.368388D+01  0.503597D+00  0.728123D+01
                56            57            58            59            60 
      1   0.115964D+01 -0.583396D+01  0.120068D+01 -0.500804D+01 -0.347488D+01
      2   0.129316D+01  0.446989D+01 -0.148035D+01  0.191830D+00  0.205006D+00
      3  -0.107614D+02  0.155326D+01  0.334926D+01  0.769742D+01 -0.307654D+01
                61            62            63            64            65 
      1  -0.436401D+01  0.667303D+01  0.903219D+01  0.163608D+01  0.251786D+01
      2  -0.875439D+00  0.274969D+00 -0.574398D+00  0.907688D+00  0.529671D+00
      3   0.308640D+01 -0.217114D+01  0.557210D+01  0.125043D+01 -0.532591D+01
                66            67            68            69            70 
      1  -0.327732D+01  0.295284D+00  0.513867D+01 -0.726527D+01  0.926785D+00
      2   0.569214D+01 -0.834862D+01  0.243929D+01  0.612493D+01 -0.375194D-01
      3  -0.933498D+00  0.425426D+01 -0.157397D+02 -0.319019D+01  0.104362D+01
                71            72            73            74            75 
      1   0.359350D+01 -0.317085D+01  0.754305D+00 -0.331272D+00  0.269764D-01
      2   0.554282D+01  0.424387D+01  0.103124D+01 -0.282472D+00  0.213684D+00
      3  -0.214244D+01 -0.456079D+01  0.101178D+01 -0.435383D+00 -0.697810D+00
                76            77            78            79            80 
      1  -0.143577D-02 -0.644208D+00 -0.281160D+00  0.786163D-01  0.356102D+01
      2  -0.847130D+00  0.460468D+00 -0.296240D-01 -0.387998D+01  0.663345D-01
      3   0.126119D+01  0.995657D-01 -0.524981D+00 -0.388821D+00 -0.420194D+00
                81            82            83            84            85 
      1   0.180902D+01 -0.133622D+01  0.165208D+00 -0.569358D+00 -0.160493D+00
      2   0.859601D+00 -0.205551D+01 -0.295776D+00  0.486780D-01 -0.901618D+00
      3   0.277329D-01  0.325989D+01  0.976883D+00  0.988414D+00  0.541702D+01
                86            87            88            89            90 
      1   0.168605D+00 -0.368878D+01 -0.224391D+00  0.386005D+00 -0.485993D+00
      2  -0.180753D+01 -0.169781D+01 -0.222450D+01 -0.162452D+01 -0.604436D+00
      3   0.823017D+01  0.221369D+01  0.212023D+01  0.202118D+01  0.192770D+01
                91            92            93            94            95 
      1  -0.173026D+01 -0.144317D+01  0.248733D+00 -0.686291D+00 -0.110067D+01
      2  -0.115141D+01  0.468811D+00  0.441655D+01 -0.130195D+01 -0.412640D+00
      3  -0.447433D+01 -0.499640D+01  0.131893D+01 -0.274955D+01 -0.333173D+01
                96            97            98            99           100 
      1  -0.304534D+00  0.887434D+00  0.558580D+00 -0.470822D+00  0.141599D+01
      2   0.242689D+01  0.891239D+00  0.412728D+00 -0.185357D+01 -0.122408D+01
      3   0.859252D+00  0.177262D+01  0.157014D+01 -0.877002D+00 -0.544438D+01
               101           102           103           104           105 
      1  -0.178968D+01  0.335378D+01 -0.161216D+01  0.144162D+01 -0.343070D+01
      2   0.533789D+00  0.572006D+00  0.799970D+00 -0.605465D+00 -0.438178D+00
      3   0.439070D+01 -0.251271D+01  0.777674D+01 -0.599077D+01  0.284565D+01
               106           107           108           109           110 
      1   0.209106D+01 -0.148571D+01  0.241602D+01 -0.651040D+00  0.886631D+00
      2  -0.154189D+01  0.274247D+00 -0.308807D-01  0.725340D+00  0.197209D+00
      3  -0.471342D+01  0.352159D+01 -0.306212D+01 -0.482725D+00  0.106788D+00
               111           112           113           114           115 
      1   0.187541D+01  0.111295D+01 -0.211991D+01 -0.229967D+01  0.173298D+01
      2  -0.349199D+00  0.138446D+00 -0.120969D+00  0.394908D+00 -0.274350D+01
      3   0.675838D+00  0.963891D+00 -0.582474D+00 -0.105173D+01  0.303796D+01
               116           117           118           119           120 
      1  -0.145063D+01 -0.142867D+02  0.176433D+01  0.283939D+01  0.111432D+01
      2   0.437122D+00  0.892444D+00  0.203347D+00 -0.376795D+00  0.623552D+00
      3  -0.111751D+01 -0.236870D+01 -0.554835D+00 -0.266091D+01 -0.115876D+01
               121           122           123           124           125 
      1   0.216541D+01  0.125195D+02  0.334723D+01  0.137495D+01  0.564677D+01
      2  -0.250225D+01  0.104067D+01  0.328288D+01 -0.222341D+01  0.103405D+01
      3   0.207729D+00 -0.773111D+01 -0.272888D+01 -0.501747D+00 -0.233150D+01
               126           127           128           129           130 
      1   0.347218D+01 -0.549809D+00 -0.245042D+01 -0.146392D+01 -0.877884D+00
      2   0.149668D+01  0.161887D+02  0.342386D+01 -0.545562D+01  0.329167D+01
      3  -0.221928D+01  0.646350D+01  0.262854D+00 -0.237288D+01  0.280254D+01
               131           132           133           134           135 
      1  -0.504824D+00  0.391655D+00 -0.355610D+00  0.253145D+01  0.487826D+00
      2   0.240215D+01 -0.170143D+01 -0.729136D+01 -0.195004D+01  0.500933D+01
      3   0.933516D+00 -0.165084D+01 -0.201731D+01 -0.558273D+00  0.205728D+01
               136           137           138           139           140 
      1  -0.277049D+01  0.469606D+01  0.424353D+00  0.344007D+01 -0.461812D+01
      2  -0.402205D+01  0.255039D+01  0.145922D+01  0.406681D+01 -0.127193D+01
      3  -0.103040D+00 -0.333856D+01  0.426675D+00  0.497325D+00  0.341835D+01
               141           142           143           144           145 
      1   0.231729D+00 -0.824908D+00  0.295462D+01 -0.680263D+00 -0.102636D+01
      2  -0.162349D+01 -0.266473D+01  0.115839D+00  0.286932D+00  0.230913D+01
      3  -0.203186D+01 -0.522353D+00 -0.188842D+01  0.730563D+00 -0.423891D+01
               146           147           148           149           150 
      1  -0.138360D+01 -0.699224D+00 -0.142034D+01 -0.430398D+01 -0.283464D+01
      2   0.112335D+01  0.188654D+01  0.132465D+01  0.409124D+01  0.468305D+01
      3  -0.490937D+01 -0.105566D+00 -0.271292D+01 -0.185578D+02 -0.229025D+01
               151           152           153           154           155 
      1  -0.385812D+00  0.311629D-01 -0.811638D+00  0.220312D+01 -0.148212D+01
      2   0.649237D+00  0.230663D+01  0.391617D+00  0.719325D+01 -0.352654D+01
      3  -0.197317D+00 -0.391569D+01 -0.201655D+01  0.527910D+01 -0.821477D+01
               156           157           158           159           160 
      1   0.145610D+01 -0.181113D+01  0.154885D+01 -0.233573D+01  0.714628D+00
      2   0.598349D+01 -0.374909D+01  0.395956D+01 -0.472825D+01  0.361342D+01
      3   0.104815D+01 -0.541672D+01  0.693670D+01 -0.185357D+01  0.107968D+01
               161           162           163           164           165 
      1  -0.135400D+00  0.956324D+00  0.459222D-01 -0.149517D+00 -0.658735D-01
      2  -0.250979D+01  0.204373D+01 -0.215469D+01 -0.189748D+00  0.923274D+00
      3  -0.338797D+01  0.177310D+01  0.764350D+00 -0.126565D+01  0.458373D-01
               166           167           168           169           170 
      1  -0.369792D+00 -0.297841D+00 -0.364411D+00  0.226513D+00  0.397069D+01
      2  -0.367439D+00 -0.128243D+01 -0.103663D+01 -0.331512D+00 -0.284099D+00
      3  -0.607015D+00 -0.729520D+00  0.179917D+01  0.297976D+00  0.335434D+01
               171 
      1  -0.115997D+01
      2  -0.241424D+02
      3   0.126311D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.473021D+00  0.175994D+02 -0.194750D+02  0.215478D+02 -0.219827D+02
      2  -0.603918D+01 -0.718614D+01  0.862994D+01 -0.104423D+02  0.584662D+01
      3   0.556615D+01 -0.104132D+02  0.108450D+02 -0.111055D+02  0.161361D+02
      4   0.210494D+02 -0.178943D+02  0.240286D+01 -0.260809D+02 -0.154548D+02
      5  -0.200222D+02 -0.893438D+00  0.537404D+01 -0.201416D+01 -0.897252D+01
      6  -0.798621D+00  0.212025D+01 -0.259375D+00  0.171104D+01  0.399421D+01
                 6             7             8             9            10 
      1   0.507197D+00 -0.232110D+02  0.256973D+01  0.105506D+02 -0.110023D+02
      2   0.557677D+00  0.742695D+01 -0.528082D+00  0.982633D+01  0.173226D+01
      3  -0.106487D+01  0.157841D+02 -0.204165D+01 -0.203770D+02  0.927006D+01
      4  -0.104087D+02  0.471658D+01 -0.121982D+02  0.316855D+01 -0.773526D+01
      5   0.163041D+01  0.103028D+01  0.181711D+01  0.328345D+02  0.135326D+02
      6   0.174710D+01  0.659010D+00  0.167089D+01 -0.522447D+01 -0.492987D+01
                11            12            13            14            15 
      1  -0.556380D+01  0.121518D+02 -0.734347D+01  0.146733D+02  0.384373D+01
      2   0.161245D+01 -0.844716D+01  0.322269D+01 -0.177569D+02 -0.705979D+01
      3   0.395134D+01 -0.370465D+01  0.412078D+01  0.308356D+01  0.321606D+01
      4   0.644851D+01 -0.218807D+01  0.164697D+02  0.602650D+01  0.545904D+01
      5   0.117662D+01 -0.157975D+01  0.331018D+01  0.550597D+01  0.157291D+01
      6   0.274021D+00  0.315531D+00  0.902934D+00 -0.821681D+01  0.262141D+01
                16            17            18            19            20 
      1   0.167207D+02  0.270821D+01  0.512886D+01 -0.136054D+02 -0.244710D+01
      2  -0.790265D+01 -0.326743D+01 -0.149188D+00  0.175303D+02  0.257928D+01
      3  -0.881806D+01  0.559225D+00 -0.497968D+01 -0.392492D+01 -0.132185D+00
      4  -0.234225D+01  0.524288D+01  0.168916D+01  0.549436D+01  0.335160D+01
      5  -0.169793D+01  0.262331D+01 -0.149108D+02  0.360117D+01 -0.342539D+00
      6  -0.379037D+00 -0.273786D+01  0.306053D+01  0.353829D+01 -0.833687D+00
                21            22            23            24            25 
      1   0.151828D+01 -0.564975D+00  0.145903D+01  0.356611D+01 -0.746193D+01
      2   0.346673D+00 -0.761647D+00 -0.660425D+01 -0.235126D+01  0.162353D+01
      3  -0.186495D+01  0.132662D+01  0.514522D+01 -0.121485D+01  0.583840D+01
      4   0.215511D+01 -0.123664D+02  0.109188D+01  0.288932D+00 -0.667273D+00
      5   0.570395D+00  0.239260D+01  0.877880D+00  0.466172D+00  0.133773D+01
      6   0.450047D+00  0.127741D+00  0.180060D+01 -0.459598D+01 -0.144591D+01
                26            27            28            29            30 
      1   0.259883D+01  0.102073D+02  0.624115D+01  0.105742D+02 -0.200839D+01
      2  -0.653500D+01  0.123094D+02 -0.955077D+01 -0.986583D+01 -0.266655D+01
      3   0.393617D+01 -0.225168D+02  0.330962D+01 -0.708332D+00  0.467494D+01
      4  -0.280700D+01 -0.387742D+00  0.353010D-01 -0.105747D+02 -0.796654D+01
      5  -0.183091D+01  0.222164D+01 -0.406615D+01 -0.851561D+01 -0.964786D+01
      6   0.145065D+01  0.416156D+01 -0.648379D+01 -0.184682D+01 -0.361868D+01
                31            32            33            34            35 
      1  -0.176547D+01  0.494803D+01  0.528181D+00 -0.509443D+01 -0.565873D+01
      2  -0.339853D+01 -0.135055D+02  0.604502D+01  0.913700D+00 -0.155157D+01
      3   0.516400D+01  0.855742D+01 -0.657320D+01  0.418073D+01  0.721030D+01
      4  -0.175433D+02 -0.209438D+02 -0.491862D+01 -0.158739D+02 -0.178888D+01
      5  -0.165348D+02 -0.727226D+01 -0.102299D+02 -0.463537D+01 -0.351036D+01
      6  -0.235545D+01 -0.920574D+01 -0.600543D+01 -0.182902D+00 -0.116750D+00
                36            37            38            39            40 
      1  -0.277391D+01 -0.158137D+02 -0.147153D+02  0.531974D+01 -0.233307D+02
      2   0.178003D-01  0.105152D+02  0.722580D+01 -0.176108D+00  0.127050D+02
      3   0.275610D+01  0.529854D+01  0.748947D+01 -0.514363D+01  0.106258D+02
      4  -0.277345D+01 -0.188520D+02  0.763198D+01  0.589159D+01  0.101018D+02
      5   0.363830D+01  0.670661D+01  0.589285D+01  0.418275D+01  0.119166D+02
      6  -0.731382D+01  0.521845D+01 -0.262035D+00 -0.350860D+01 -0.113136D+01
                41            42            43            44            45 
      1  -0.231108D+01  0.416468D+01  0.427729D+01  0.226213D+01 -0.388138D+01
      2   0.650895D+01 -0.484661D+01 -0.178972D+01 -0.145953D+01 -0.700397D+01
      3  -0.419787D+01  0.681932D+00 -0.248757D+01 -0.802598D+00  0.108854D+02
      4  -0.146773D+02 -0.484781D+01  0.833646D+01 -0.511317D+01 -0.721127D+01
      5  -0.289004D+01 -0.832440D+01  0.858605D+01 -0.662833D+01 -0.147913D+02
      6   0.393077D+01  0.600218D+01 -0.348685D+01  0.515368D+01  0.344703D+01
                46            47            48            49            50 
      1   0.126696D+02  0.806531D+01 -0.110464D+02  0.706819D+01 -0.364252D+01
      2  -0.228832D+01 -0.838722D-01  0.379334D+01 -0.168805D+00  0.100116D+02
      3  -0.103813D+02 -0.798144D+01  0.725301D+01 -0.689939D+01 -0.636912D+01
      4   0.645143D+01 -0.145263D+02  0.830582D+01 -0.158615D+02 -0.101126D+01
      5  -0.491726D+01  0.105047D+02 -0.115613D+02  0.888816D+01 -0.189995D+02
      6   0.161666D+02 -0.105928D+02 -0.135872D+01 -0.120628D+02 -0.377804D+01
                51            52            53            54            55 
      1   0.164948D+01 -0.934082D+01 -0.201132D-01 -0.903753D+01  0.121912D+02
      2   0.412651D+01  0.255238D+01  0.416404D+01 -0.666030D+01 -0.119505D+02
      3  -0.577599D+01  0.678844D+01 -0.414393D+01  0.156978D+02 -0.240767D+00
      4  -0.123495D+02  0.639315D+01 -0.854360D+01 -0.159703D+01  0.553088D+01
      5  -0.924343D+00 -0.115334D+02 -0.246952D+01  0.110730D+02 -0.229245D+01
      6  -0.141008D+02 -0.730568D+00 -0.102228D+02 -0.299213D+01  0.444005D+01
                56            57            58            59            60 
      1  -0.987460D+01  0.582849D+00 -0.850342D+01 -0.121230D+02 -0.342210D+01
      2   0.159182D+02 -0.315764D+01  0.154206D+02  0.208922D+02  0.596214D+01
      3  -0.604357D+01  0.257479D+01 -0.691714D+01 -0.876928D+01 -0.254004D+01
      4  -0.560642D+01  0.337272D+01  0.332028D+01  0.144393D+02 -0.391839D+01
      5   0.244232D+01  0.195543D+01  0.469084D+00 -0.307791D+01  0.147973D+01
      6  -0.575095D+01  0.890007D+01 -0.594992D+01  0.513955D+01  0.211078D+01
                61            62            63            64            65 
      1   0.326267D+01 -0.117693D+01  0.198387D+01  0.162663D+02  0.661898D+01
      2  -0.362910D+01  0.641391D+01 -0.447872D+01 -0.551735D+01  0.127230D+01
      3   0.366428D+00 -0.523698D+01  0.249484D+01 -0.107490D+02 -0.789128D+01
      4   0.444954D+01 -0.254018D+01  0.863751D+01  0.182415D+02  0.200910D+02
      5   0.340406D+01  0.345159D+01 -0.106203D+01  0.127741D+02  0.890539D+01
      6   0.994652D+01 -0.103127D+01 -0.127073D+02  0.576018D+01  0.438734D+01
                66            67            68            69            70 
      1   0.349843D+01  0.958455D+01 -0.131712D+02 -0.508806D+01  0.658395D+01
      2  -0.329954D+01  0.720211D+00  0.303007D+02  0.185429D+01 -0.358588D+01
      3  -0.198887D+00 -0.103048D+02 -0.171294D+02  0.323378D+01 -0.299807D+01
      4   0.787177D+01  0.271370D+02  0.406814D+02  0.106686D+02  0.927975D+01
      5   0.146139D+02  0.110038D+02  0.136170D+02  0.149450D+02  0.151055D+02
      6   0.568914D+01  0.632879D+01  0.146494D+02  0.149744D+02  0.620100D+01
                71            72            73            74            75 
      1  -0.258386D+01 -0.509662D+01  0.133620D+01 -0.189188D+00 -0.319575D+00
      2   0.180931D+01 -0.298006D+01 -0.474718D+01  0.401930D+00  0.503030D+00
      3   0.774549D+00  0.807668D+01  0.341098D+01 -0.212741D+00 -0.183455D+00
      4   0.878020D+01  0.121955D+02 -0.686152D+00  0.130458D+01 -0.120716D+01
      5   0.131319D+02  0.167759D+02 -0.133511D+01 -0.520939D+00  0.604616D+01
      6   0.134891D+02  0.114547D+02 -0.132127D+01  0.150595D+00  0.359316D+00
                76            77            78            79            80 
      1   0.872158D+00 -0.400745D+01  0.172818D+00  0.123986D+01  0.272149D+01
      2   0.478061D+00  0.795368D+00 -0.114467D+01  0.763949D+00 -0.124821D+01
      3  -0.135022D+01  0.321209D+01  0.971848D+00 -0.200381D+01 -0.147328D+01
      4   0.274023D+01 -0.304313D+00 -0.117729D+00  0.334602D-01  0.650068D+00
      5  -0.108128D-01 -0.505654D+00 -0.413552D+00  0.553121D+01  0.560408D+00
      6   0.125415D+00 -0.103907D+01  0.681205D+01  0.168202D+00  0.524966D+01
                81            82            83            84            85 
      1  -0.196850D+02  0.554145D-02 -0.253923D+01 -0.219623D+01 -0.417329D+01
      2  -0.165292D+02  0.314204D+01  0.300926D+01  0.184348D+01  0.412668D+01
      3   0.362143D+02 -0.314758D+01 -0.470032D+00  0.352758D+00  0.466087D-01
      4  -0.322730D+00  0.239961D+00  0.348959D+01  0.105376D+01  0.253787D+01
      5  -0.369628D+00 -0.157134D+01  0.693917D+00  0.125156D+01  0.946854D+00
      6  -0.687238D+01  0.189715D+01  0.927820D+00  0.675202D+00  0.742428D+00
                86            87            88            89            90 
      1  -0.175676D+02 -0.283113D+01 -0.359950D+01 -0.416958D+01 -0.517211D+01
      2   0.281923D+02  0.588332D+01  0.209665D+01  0.446821D+01  0.294768D+01
      3  -0.106247D+02 -0.305219D+01  0.150285D+01 -0.298635D+00  0.222443D+01
      4  -0.107865D+02 -0.292067D+01  0.346565D+00 -0.298558D+01 -0.210059D+01
      5  -0.296926D+01 -0.389175D+01  0.235599D+01 -0.250631D+01 -0.441601D+00
      6   0.879716D+01  0.671613D+01  0.114685D+01  0.825860D+01  0.463767D+01
                91            92            93            94            95 
      1   0.476085D+02  0.581211D+01 -0.119648D+02  0.183963D+02  0.625043D+01
      2  -0.271433D+02 -0.371233D+01  0.809284D+01 -0.101771D+02 -0.288464D+01
      3  -0.204652D+02 -0.209978D+01  0.387196D+01 -0.821917D+01 -0.336579D+01
      4   0.508731D+01  0.632159D+01 -0.133213D+01  0.981516D+01  0.448869D+01
      5  -0.181442D+02 -0.179767D+01  0.106601D+02 -0.839752D+01 -0.370848D+01
      6  -0.293019D+01 -0.100216D+01  0.118338D+01 -0.356224D+01 -0.195747D+01
                96            97            98            99           100 
      1  -0.544000D+01 -0.531866D+01 -0.466256D+00  0.545879D+01 -0.256868D+01
      2   0.362125D+01  0.481632D+01  0.659601D+00 -0.504397D+01  0.833648D+01
      3   0.181874D+01  0.502342D+00 -0.193344D+00 -0.414818D+00 -0.576780D+01
      4  -0.334690D+01 -0.828998D+00 -0.170217D+01  0.810349D+00 -0.866314D+01
      5   0.500102D+01  0.101238D+02  0.140161D+01 -0.691546D+01  0.303282D+01
      6   0.220464D+01  0.774947D+00  0.131211D+01 -0.933261D+00 -0.598454D+01
               101           102           103           104           105 
      1   0.788589D+01 -0.249635D+01  0.655697D+01 -0.133711D+02  0.406429D+01
      2  -0.151242D+02  0.415690D+01 -0.122718D+02  0.245753D+02 -0.673805D+01
      3   0.723833D+01 -0.166055D+01  0.571479D+01 -0.112042D+02  0.267375D+01
      4   0.135306D+02 -0.500497D+01  0.121382D+02 -0.129249D+02  0.461910D+01
      5  -0.296300D+01  0.332552D+01 -0.173366D+01  0.302673D+01 -0.163090D+01
      6   0.790775D+01 -0.632024D+01  0.628667D+01 -0.100400D+02  0.746541D+01
               106           107           108           109           110 
      1  -0.406178D+01  0.622980D+01 -0.527992D+01 -0.122899D+01  0.133518D+01
      2   0.526001D+01 -0.877660D+01  0.481333D+01  0.162131D+01 -0.133630D+01
      3  -0.119824D+01  0.254680D+01  0.466594D+00 -0.392327D+00  0.112381D-02
      4  -0.644939D+01  0.625785D+01 -0.517586D+01  0.509025D+00  0.338240D+01
      5   0.336607D+01 -0.266937D+01  0.259073D+01 -0.102751D+01 -0.408244D+00
      6  -0.651696D+01  0.101881D+02 -0.740827D+01  0.378907D+00 -0.201306D+01
               111           112           113           114           115 
      1   0.159127D+01  0.106426D+01 -0.342185D+01 -0.259652D+01  0.108190D+01
      2  -0.966492D+00 -0.924794D+00  0.467709D+01  0.295466D+01 -0.132688D+01
      3  -0.624774D+00 -0.139463D+00 -0.125524D+01 -0.358139D+00  0.244986D+00
      4   0.532217D+00  0.308770D+01 -0.837231D+00 -0.125303D+01  0.359892D+01
      5   0.185774D+01  0.157118D-01 -0.335754D+00 -0.303758D+00  0.131147D+01
      6  -0.316357D+01 -0.147978D+01  0.298305D+01  0.649096D+01 -0.374366D+01
               116           117           118           119           120 
      1  -0.609454D+01 -0.777885D+01  0.218825D+01  0.185927D+01  0.160574D+01
      2   0.761164D+01  0.134086D+01 -0.310165D+01 -0.263447D+01 -0.360037D+01
      3  -0.151710D+01  0.643799D+01  0.913393D+00  0.775207D+00  0.199463D+01
      4  -0.186439D+01 -0.352646D+01  0.331247D+01  0.651158D+01  0.149959D+01
      5  -0.123311D+01 -0.106995D+01  0.589780D+01  0.380005D+01  0.787537D+01
      6   0.751886D+01  0.204989D+02  0.179667D+01  0.502989D+01  0.231642D+01
               121           122           123           124           125 
      1   0.361269D+01 -0.304725D+01 -0.513152D+01  0.111185D+01 -0.281114D+01
      2  -0.438928D+01 -0.136800D+01 -0.713269D+01 -0.262098D+01 -0.429148D+01
      3   0.776592D+00  0.441526D+01  0.122642D+02  0.150913D+01  0.710262D+01
      4   0.626517D+01  0.124012D+02  0.706778D+01  0.839636D+00  0.478316D+01
      5   0.731537D+01  0.104241D+02  0.111516D+02  0.618504D+01  0.575950D+01
      6   0.530959D+01  0.173474D+02  0.107314D+02  0.227852D+01  0.999170D+01
               126           127           128           129           130 
      1  -0.446766D+01 -0.937663D+01 -0.593241D+01  0.131377D+02 -0.467737D+01
      2  -0.506684D+01  0.830177D+00  0.274355D+01  0.211399D+01  0.243432D+01
      3   0.953449D+01  0.854645D+01  0.318886D+01 -0.152516D+02  0.224305D+01
      4   0.434665D+01  0.596011D+01  0.349406D+01 -0.315428D+01  0.439568D+01
      5   0.706428D+01 -0.134669D+02 -0.369058D+01  0.587809D+01 -0.378671D+01
      6   0.700462D+01 -0.731670D+01 -0.612888D+01  0.748929D+01 -0.350914D+01
               131           132           133           134           135 
      1  -0.473312D+01  0.448426D+01  0.879701D+01  0.389618D+01 -0.103054D+02
      2   0.237043D+01 -0.118652D+01  0.126889D+01 -0.989732D+00 -0.343724D+01
      3   0.236269D+01 -0.329774D+01 -0.100659D+02 -0.290645D+01  0.137427D+02
      4   0.139681D+01  0.502794D+00 -0.226120D+01 -0.429372D-02  0.225093D+01
      5   0.107359D+00  0.102854D+01  0.772556D+01  0.171814D+01 -0.474460D+01
      6  -0.460788D+01  0.708919D+01  0.480041D+01  0.621668D+01 -0.582355D+01
               136           137           138           139           140 
      1   0.117899D+02 -0.422458D+01  0.188198D+01 -0.535255D+01 -0.215180D+01
      2  -0.685557D+01 -0.281830D+00 -0.528485D+01  0.241804D+00  0.624616D+01
      3  -0.493437D+01  0.450641D+01  0.340287D+01  0.511074D+01 -0.409436D+01
      4  -0.161296D+02  0.149845D+02 -0.859630D+01  0.155699D+02 -0.166275D+02
      5   0.186688D+02 -0.119361D+02  0.158924D+02 -0.130394D+02  0.131760D+02
      6  -0.112566D+02  0.116700D+02 -0.868255D+01  0.107575D+02 -0.151863D+02
               141           142           143           144           145 
      1   0.303696D+01  0.145685D+01  0.208596D+01 -0.179817D+01  0.916392D+01
      2   0.697172D+00 -0.389070D+01  0.789789D+00 -0.392695D+01 -0.142600D+01
      3  -0.373414D+01  0.243384D+01 -0.287574D+01  0.572512D+01 -0.773792D+01
      4   0.960435D+01 -0.533201D+01  0.613239D+01 -0.697982D+01  0.717251D+01
      5  -0.109670D+02  0.117808D+02 -0.763708D+01  0.105129D+02  0.181177D+01
      6   0.131957D+02 -0.637343D+01  0.993327D+01 -0.867198D+01 -0.633837D+00
               146           147           148           149           150 
      1   0.662981D+01  0.292971D+01  0.158828D+02  0.879782D+01  0.299729D+00
      2  -0.156800D+01 -0.977389D+00 -0.570557D+01  0.524567D+01  0.164124D+01
      3  -0.506181D+01 -0.195232D+01 -0.101772D+02 -0.140435D+02 -0.194097D+01
      4   0.134722D+02  0.105209D+01  0.174838D+02  0.322893D+02  0.353051D+01
      5   0.158255D+00  0.235940D+01 -0.174230D+01  0.336679D+01  0.831378D+01
      6  -0.177139D+01  0.399786D+00 -0.140802D+01 -0.463006D+01  0.211935D+01
               151           152           153           154           155 
      1   0.758465D+01  0.141056D+01 -0.230981D+00  0.491479D+02 -0.177361D+02
      2  -0.296038D+01  0.542263D+00 -0.122682D+01 -0.205112D+02  0.552832D+01
      3  -0.462428D+01 -0.195282D+01  0.145780D+01 -0.286367D+02  0.122078D+02
      4   0.242259D+01  0.642235D+01  0.411737D+01 -0.243982D+02  0.187865D+02
      5   0.339930D+01  0.471810D+01 -0.107178D+00  0.198278D+01 -0.832595D+00
      6   0.102469D+01  0.231701D+01  0.119097D+01  0.177424D+01 -0.211293D+01
               156           157           158           159           160 
      1   0.653321D+01 -0.269751D+02  0.135577D+02 -0.206346D+01  0.159384D+02
      2  -0.214687D+01  0.924149D+01  0.136982D+00 -0.523941D+00 -0.647871D+01
      3  -0.438634D+01  0.177336D+02 -0.136947D+02  0.258740D+01 -0.945973D+01
      4  -0.294314D+01  0.237965D+02 -0.187094D+02  0.399238D+01 -0.722857D+01
      5   0.825666D+01  0.228564D+00  0.229230D+01 -0.728762D+01  0.800736D+01
      6  -0.119875D+01 -0.183454D+01  0.970754D+00  0.243147D+01 -0.150363D+01
               161           162           163           164           165 
      1  -0.406134D+01  0.439082D+01  0.192799D+01 -0.168144D+01 -0.439911D+01
      2   0.681700D+00 -0.363284D+01 -0.328376D+01  0.763747D+00  0.282034D+01
      3   0.337964D+01 -0.757976D+00  0.135577D+01  0.917694D+00  0.157876D+01
      4   0.712502D+01 -0.515665D+01 -0.151268D+01  0.278409D+01  0.150002D+00
      5  -0.461880D+01  0.255621D+01 -0.353161D+01  0.221662D+00  0.712070D+01
      6   0.165855D+01 -0.106110D+01  0.684871D+00 -0.152877D+00  0.332301D+00
               166           167           168           169           170 
      1  -0.263743D+01  0.522303D+00 -0.100796D+01 -0.838949D+01 -0.703697D+00
      2   0.112534D+01 -0.103611D+01  0.166864D+00  0.904017D+01  0.243874D+00
      3   0.151209D+01  0.513808D+00  0.841099D+00 -0.650671D+00  0.459823D+00
      4   0.505341D+01  0.569086D+00 -0.401849D+01  0.566945D+00 -0.584648D+01
      5   0.772426D+00 -0.366270D+01 -0.161597D+01  0.166768D+02 -0.970641D+00
      6  -0.136513D+01  0.943495D+00  0.642137D+01 -0.152992D+01  0.668294D+01
               171 
      1  -0.118337D+02
      2  -0.207402D+02
      3   0.325739D+02
      4  -0.198445D+01
      5  -0.472213D+02
      6   0.544716D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:24:00 2021, MaxMem=  5368709120 cpu:           16051.9 elap:            2009.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.33008 -19.26792 -14.44081 -10.43526 -10.34326
 Alpha  occ. eigenvalues --  -10.30678 -10.28810 -10.28022  -1.22521  -1.13222
 Alpha  occ. eigenvalues --   -1.00755  -0.89950  -0.80955  -0.78724  -0.72340
 Alpha  occ. eigenvalues --   -0.65842  -0.60916  -0.60162  -0.58577  -0.55111
 Alpha  occ. eigenvalues --   -0.53052  -0.52307  -0.50364  -0.49841  -0.46961
 Alpha  occ. eigenvalues --   -0.45920  -0.43186  -0.41990  -0.41360  -0.40804
 Alpha  occ. eigenvalues --   -0.39388  -0.32980
 Alpha virt. eigenvalues --    0.03160   0.04461   0.04612   0.05098   0.06271
 Alpha virt. eigenvalues --    0.06550   0.06972   0.07236   0.07887   0.08314
 Alpha virt. eigenvalues --    0.09311   0.10386   0.11385   0.11932   0.12768
 Alpha virt. eigenvalues --    0.13593   0.14305   0.14552   0.15374   0.15730
 Alpha virt. eigenvalues --    0.15780   0.16259   0.17741   0.17780   0.18554
 Alpha virt. eigenvalues --    0.18897   0.19733   0.19977   0.20280   0.20586
 Alpha virt. eigenvalues --    0.21218   0.21830   0.22561   0.23652   0.24972
 Alpha virt. eigenvalues --    0.25192   0.25477   0.26083   0.27500   0.27680
 Alpha virt. eigenvalues --    0.28587   0.28933   0.30685   0.30930   0.31277
 Alpha virt. eigenvalues --    0.31823   0.32564   0.32970   0.33458   0.34282
 Alpha virt. eigenvalues --    0.34758   0.35376   0.36052   0.36876   0.39088
 Alpha virt. eigenvalues --    0.39823   0.40095   0.40562   0.41740   0.42490
 Alpha virt. eigenvalues --    0.42936   0.43413   0.44346   0.45067   0.45290
 Alpha virt. eigenvalues --    0.46199   0.47354   0.47818   0.48358   0.48704
 Alpha virt. eigenvalues --    0.49799   0.50114   0.51889   0.52677   0.52956
 Alpha virt. eigenvalues --    0.53591   0.54341   0.54760   0.54868   0.56213
 Alpha virt. eigenvalues --    0.57173   0.57498   0.57666   0.58719   0.60461
 Alpha virt. eigenvalues --    0.60875   0.61967   0.62780   0.63938   0.65164
 Alpha virt. eigenvalues --    0.66429   0.67000   0.68236   0.68450   0.69128
 Alpha virt. eigenvalues --    0.69727   0.70726   0.70947   0.71526   0.73373
 Alpha virt. eigenvalues --    0.73904   0.74281   0.75202   0.76079   0.77559
 Alpha virt. eigenvalues --    0.78732   0.79219   0.80009   0.80615   0.82869
 Alpha virt. eigenvalues --    0.83836   0.84691   0.85645   0.86554   0.87259
 Alpha virt. eigenvalues --    0.87994   0.89152   0.90662   0.90904   0.92291
 Alpha virt. eigenvalues --    0.94508   0.94832   0.96786   0.98609   1.00010
 Alpha virt. eigenvalues --    1.01338   1.01657   1.03280   1.04118   1.04766
 Alpha virt. eigenvalues --    1.07521   1.08701   1.10463   1.10898   1.12351
 Alpha virt. eigenvalues --    1.14063   1.16589   1.17713   1.18241   1.21426
 Alpha virt. eigenvalues --    1.22153   1.24063   1.25407   1.26274   1.28649
 Alpha virt. eigenvalues --    1.29301   1.31405   1.33565   1.35578   1.37171
 Alpha virt. eigenvalues --    1.39099   1.40954   1.44982   1.46312   1.48491
 Alpha virt. eigenvalues --    1.49835   1.52274   1.53907   1.55905   1.57959
 Alpha virt. eigenvalues --    1.59374   1.63193   1.64527   1.65091   1.67084
 Alpha virt. eigenvalues --    1.69298   1.70532   1.72874   1.74950   1.76190
 Alpha virt. eigenvalues --    1.77856   1.79150   1.82678   1.84414   1.84987
 Alpha virt. eigenvalues --    1.87080   1.88689   1.89004   1.90507   1.92133
 Alpha virt. eigenvalues --    1.95210   1.96188   1.97426   1.98263   1.99666
 Alpha virt. eigenvalues --    2.01451   2.03189   2.03885   2.06473   2.07071
 Alpha virt. eigenvalues --    2.08906   2.11405   2.11972   2.14199   2.16845
 Alpha virt. eigenvalues --    2.17331   2.20605   2.22571   2.23567   2.25593
 Alpha virt. eigenvalues --    2.26929   2.28929   2.30489   2.31685   2.32505
 Alpha virt. eigenvalues --    2.33832   2.37362   2.37745   2.40208   2.41204
 Alpha virt. eigenvalues --    2.42943   2.44756   2.47635   2.48737   2.53041
 Alpha virt. eigenvalues --    2.56587   2.58833   2.60164   2.62314   2.63457
 Alpha virt. eigenvalues --    2.65852   2.68408   2.71602   2.75190   2.77264
 Alpha virt. eigenvalues --    2.79058   2.81666   2.84208   2.89221   2.91111
 Alpha virt. eigenvalues --    2.94800   2.98110   3.01232   3.03009   3.12576
 Alpha virt. eigenvalues --    3.17510   3.20656   3.37539   3.42972   3.45838
 Alpha virt. eigenvalues --    3.46159   3.48298   3.51201   3.52431   3.53510
 Alpha virt. eigenvalues --    3.54620   3.61819   3.72422   3.80477   3.97510
 Alpha virt. eigenvalues --    4.09257
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.881567   0.016397  -0.019255  -0.131431   0.004635  -0.225045
     2  C    0.016397   8.727669  -1.124645   0.020960   0.096357  -0.093359
     3  C   -0.019255  -1.124645   9.070487  -0.948853  -0.153614  -0.411447
     4  C   -0.131431   0.020960  -0.948853   6.497571  -0.169513  -0.055564
     5  O    0.004635   0.096357  -0.153614  -0.169513   8.363948   0.028294
     6  C   -0.225045  -0.093359  -0.411447  -0.055564   0.028294   4.678392
     7  N   -0.005743  -0.416324  -0.200172   0.016364   0.009687   0.150000
     8  O   -0.002356   0.072947  -0.005101   0.139871   0.000930   0.008588
     9  H   -0.027418   0.359322  -1.055265  -0.134312   0.042744   0.107843
    10  H   -0.021843  -1.468773   0.199570  -0.017791  -0.004041   0.191146
    11  H    0.003494  -0.027438   0.116013  -0.109038   0.290788  -0.004546
    12  H   -0.025344   0.084438   0.087911  -0.001845  -0.004157  -0.033531
    13  H    0.019620   0.018174  -0.200847  -0.046075   0.020412   0.010854
    14  H   -0.087516  -0.107874  -0.011395  -0.003038   0.006757   0.289939
    15  H   -0.101159   0.171486  -0.092213  -0.023910   0.017394   0.205668
    16  H    0.115962   0.030272   0.006425   0.036765  -0.004996   0.107678
    17  H    0.401721  -0.129837  -0.041037   0.021920  -0.001455  -0.088872
    18  H    0.131904   0.108226   0.082640  -0.036313   0.001239   0.010996
    19  H    0.065370   0.231564  -0.104587   0.035398  -0.000008  -0.003097
               7          8          9         10         11         12
     1  C   -0.005743  -0.002356  -0.027418  -0.021843   0.003494  -0.025344
     2  C   -0.416324   0.072947   0.359322  -1.468773  -0.027438   0.084438
     3  C   -0.200172  -0.005101  -1.055265   0.199570   0.116013   0.087911
     4  C    0.016364   0.139871  -0.134312  -0.017791  -0.109038  -0.001845
     5  O    0.009687   0.000930   0.042744  -0.004041   0.290788  -0.004157
     6  C    0.150000   0.008588   0.107843   0.191146  -0.004546  -0.033531
     7  N    6.756888  -0.011122   0.136477   0.094077  -0.007492   0.198970
     8  O   -0.011122   8.388983   0.034050   0.000758  -0.031229   0.000706
     9  H    0.136477   0.034050   2.040811  -0.028391  -0.002593  -0.073674
    10  H    0.094077   0.000758  -0.028391   2.697646   0.000567  -0.001264
    11  H   -0.007492  -0.031229  -0.002593   0.000567   0.590375   0.000973
    12  H    0.198970   0.000706  -0.073674  -0.001264   0.000973   0.941213
    13  H    0.408997   0.001102   0.049484   0.000549  -0.004146  -0.134297
    14  H   -0.007999  -0.000808  -0.001591   0.107559  -0.000248  -0.005340
    15  H    0.037450   0.010278   0.016972  -0.021270  -0.002759  -0.000554
    16  H   -0.002013  -0.002623   0.005597  -0.094014   0.001308   0.000548
    17  H   -0.030189  -0.002623  -0.010729   0.117325   0.000845  -0.001301
    18  H   -0.008680   0.001460   0.017565  -0.078846  -0.000420   0.001715
    19  H    0.054816   0.000337  -0.034497  -0.077469   0.000472  -0.001956
              13         14         15         16         17         18
     1  C    0.019620  -0.087516  -0.101159   0.115962   0.401721   0.131904
     2  C    0.018174  -0.107874   0.171486   0.030272  -0.129837   0.108226
     3  C   -0.200847  -0.011395  -0.092213   0.006425  -0.041037   0.082640
     4  C   -0.046075  -0.003038  -0.023910   0.036765   0.021920  -0.036313
     5  O    0.020412   0.006757   0.017394  -0.004996  -0.001455   0.001239
     6  C    0.010854   0.289939   0.205668   0.107678  -0.088872   0.010996
     7  N    0.408997  -0.007999   0.037450  -0.002013  -0.030189  -0.008680
     8  O    0.001102  -0.000808   0.010278  -0.002623  -0.002623   0.001460
     9  H    0.049484  -0.001591   0.016972   0.005597  -0.010729   0.017565
    10  H    0.000549   0.107559  -0.021270  -0.094014   0.117325  -0.078846
    11  H   -0.004146  -0.000248  -0.002759   0.001308   0.000845  -0.000420
    12  H   -0.134297  -0.005340  -0.000554   0.000548  -0.001301   0.001715
    13  H    0.827600   0.028636  -0.004015  -0.003653  -0.001704  -0.003101
    14  H    0.028636   1.640302  -0.257758  -0.418069   0.003642  -0.020189
    15  H   -0.004015  -0.257758   1.674056  -0.401015   0.000856   0.010361
    16  H   -0.003653  -0.418069  -0.401015   1.850204  -0.012075   0.001550
    17  H   -0.001704   0.003642   0.000856  -0.012075   1.536929  -0.367890
    18  H   -0.003101  -0.020189   0.010361   0.001550  -0.367890   1.668402
    19  H    0.003219  -0.002753  -0.014724   0.022757  -0.285403  -0.356616
              19
     1  C    0.065370
     2  C    0.231564
     3  C   -0.104587
     4  C    0.035398
     5  O   -0.000008
     6  C   -0.003097
     7  N    0.054816
     8  O    0.000337
     9  H   -0.034497
    10  H   -0.077469
    11  H    0.000472
    12  H   -0.001956
    13  H    0.003219
    14  H   -0.002753
    15  H   -0.014724
    16  H    0.022757
    17  H   -0.285403
    18  H   -0.356616
    19  H    1.651819
 Mulliken charges:
               1
     1  C    1.006439
     2  C   -0.569563
     3  C    0.805385
     4  C    0.908833
     5  O   -0.545401
     6  C    1.126062
     7  N   -0.173992
     8  O   -0.604149
     9  H   -0.442394
    10  H   -0.595497
    11  H    0.185073
    12  H   -0.033210
    13  H    0.009190
    14  H   -0.152258
    15  H   -0.225144
    16  H   -0.240609
    17  H   -0.110122
    18  H   -0.164002
    19  H   -0.184641
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.547674
     2  C   -1.165059
     3  C    0.362991
     4  C    0.908833
     5  O   -0.360328
     6  C    0.508051
     7  N   -0.198012
     8  O   -0.604149
 Electronic spatial extent (au):  <R**2>=           1051.6930
 Charge=              0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.4684    Y=              1.1190    Z=              1.0473  Tot=              1.6027
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -47.7672   YY=            -52.9939   ZZ=            -48.7631
   XY=             -5.4566   XZ=             -2.5717   YZ=             -2.6517
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              2.0742   YY=             -3.1525   ZZ=              1.0783
   XY=             -5.4566   XZ=             -2.5717   YZ=             -2.6517
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -35.0332  YYY=              8.1830  ZZZ=             -1.9365  XYY=             -3.2243
  XXY=              0.0588  XXZ=             11.5099  XZZ=             -5.2210  YZZ=              4.1834
  YYZ=              3.7576  XYZ=              7.1364
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -720.3896 YYYY=           -303.1185 ZZZZ=           -258.6356 XXXY=             -7.0828
 XXXZ=            -31.2009 YYYX=            -24.7719 YYYZ=             -1.0550 ZZZX=             -7.1732
 ZZZY=              1.8776 XXYY=           -200.1651 XXZZ=           -173.1113 YYZZ=            -91.8823
 XXYZ=            -11.6714 YYXZ=              0.6007 ZZXY=             -2.2780
 N-N= 4.077431076457D+02 E-N=-1.754755933193D+03  KE= 3.998073541993D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:24:01 2021, MaxMem=  5368709120 cpu:               2.6 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-2.15179232D-01 4.45633264D-01 4.10580196D-01
 Polarizability= 8.21626208D+01 1.97498350D-01 7.14152288D+01
                -2.30729257D+00 1.72901418D+00 6.96613793D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 6     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.1839    1.1832        0.5542    0.5536
 2     -1.1839   -1.1832       -0.9476   -0.9475       -5.5389   -5.5387
 3     -0.5542   -0.5536        6.8138    6.8145        0.9480    0.9475
 4      0.9476    0.9475       -0.0000    0.0000       -0.5535   -0.5536
 5     -1.2749   -1.2758        0.5535    0.5536        1.1865    1.1832
 6     -0.9480   -0.9475       -1.1865   -1.1832       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -3.5495   -3.5495        1.6609    1.6609
 2      2.8424    2.8424       -0.0000    0.0000        1.6609    1.6609
 3      2.8424    2.8424       -3.5495   -3.5495        0.0000    0.0000
 4     -3.5495   -3.5495       -2.8424   -2.8424      -16.6160  -16.6160
 5     -1.6609   -1.6609       20.4435   20.4435        2.8424    2.8424
 6     -3.8275   -3.8275        1.6609    1.6609        3.5495    3.5495
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.3196    0.0000       -4.7173   -4.7327       -2.1906   -2.2146
 2      4.8528    4.7327        4.1120    3.7899       21.6530   22.1547
 3      2.0167    2.2146      -27.5388  -27.2580       -3.5880   -3.7899
 4     -4.1667   -3.7899       -0.0044    0.0000        2.4244    2.2146
 5      5.3701    5.1033       -2.0252   -2.2146       -4.7862   -4.7327
 6      3.5330    3.7899        4.6790    4.7327        0.0175    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1559    0.0000        6.8303    6.9545       -4.7002   -4.8897
 2     -7.2786   -6.9545        8.1611    8.4160       14.0046   13.2387
 3      4.8010    4.8897       16.7561   17.2460       -7.9213   -8.4160
 4     -8.3589   -8.4160        0.0064    0.0000        4.7979    4.8897
 5    -30.5403  -30.4847       -5.0573   -4.8897        6.3839    6.9545
 6      8.1950    8.4160       -6.9025   -6.9545        0.0237    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -6.3713   -6.5653       12.3542   12.1136       10.0126   10.0458
 2    -22.7859  -23.1902       16.6018   16.5796       10.0445   10.0458
 3    -22.8760  -23.1902       12.3312   12.1136       15.0536   15.2363
 4     -4.7943   -4.4660       16.3380   16.6250       21.8261   21.1737
 5      4.9816    5.1904       37.9636   38.1746      -16.4217  -16.6250
 6    -59.4420  -59.3483       -4.9521   -5.1904        3.4761    4.4660
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.6631   -0.0003    0.0002    0.0008    2.8052    3.8533
 Low frequencies ---   39.2409   76.5673  177.9153
 Diagonal vibrational polarizability:
       23.3408449      18.6359899      37.6192271
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     39.2342                76.5652               177.9152
 Red. masses --      6.6756                 2.9674                 3.6021
 Frc consts  --      0.0061                 0.0102                 0.0672
 IR Inten    --      1.3583                 0.1549                 0.5357
 RamAct Fr= 1--      0.9158                 0.4366                 0.5293
  Dep-P Fr= 1--      0.7378                 0.7432                 0.6481
  Dep-U Fr= 1--      0.8491                 0.8527                 0.7865
 Alpha2 Fr= 1--      0.0002                 0.0001                 0.0010
 Beta2  Fr= 1--      0.1296                 0.0620                 0.0694
 AlphaG Fr= 1--     -0.0018                -0.0001                -0.0027
 Gamma2 Fr= 1--      0.0363                 0.1266                 0.1421
 Delta2 Fr= 1--     -0.0301                 0.0476                 0.0981
 Raman1 Fr= 1--       3.663                  1.746                  2.117
 ROA1   Fr= 1--       2.521                 13.678                 16.777
 CID1   Fr= 1--       0.688                  7.832                  7.924
 Raman2 Fr= 1--       1.555                  0.745                  0.833
 ROA2   Fr= 1--       1.112                  2.658                  2.625
 CID2   Fr= 1--       0.715                  3.570                  3.153
 Raman3 Fr= 1--       3.110                  1.489                  1.665
 ROA3   Fr= 1--       2.521                 13.678                 16.777
 CID3   Fr= 1--       0.811                  9.185                 10.075
 RC180  Fr= 1--       0.698                  0.705                  0.573
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06  -0.06    -0.05  -0.16  -0.13    -0.02  -0.17  -0.01
     2   6     0.01  -0.01  -0.08    -0.01  -0.00   0.06    -0.10   0.04  -0.07
     3   6    -0.00   0.04   0.05     0.00   0.02   0.08    -0.01   0.15  -0.06
     4   6     0.00   0.01   0.05    -0.01  -0.00  -0.03     0.06   0.03  -0.00
     5   8    -0.20   0.23  -0.29    -0.10  -0.03  -0.08     0.04  -0.09   0.07
     6   6     0.03  -0.18  -0.09     0.15   0.17   0.05    -0.21   0.04  -0.06
     7   7     0.02   0.00   0.14    -0.01  -0.01   0.17     0.00   0.12   0.02
     8   8     0.16  -0.17   0.29     0.04   0.01  -0.09     0.21  -0.06   0.07
     9   1    -0.05   0.13   0.04     0.04   0.09   0.08    -0.03   0.20  -0.06
    10   1     0.01   0.03  -0.19    -0.11  -0.02   0.19    -0.22   0.08  -0.07
    11   1    -0.19   0.21  -0.29    -0.11  -0.04  -0.16     0.15  -0.23   0.16
    12   1    -0.03   0.04   0.26     0.02   0.03   0.17     0.02   0.16   0.05
    13   1     0.10  -0.08   0.17    -0.06  -0.06   0.16     0.00   0.07   0.03
    14   1     0.03  -0.22   0.02     0.33   0.18  -0.10    -0.02  -0.02  -0.05
    15   1     0.03  -0.23  -0.11     0.15   0.36   0.19    -0.30   0.25  -0.13
    16   1     0.03  -0.22  -0.17     0.08   0.11   0.06    -0.40  -0.13   0.00
    17   1     0.01   0.03   0.06     0.01  -0.12  -0.33     0.14  -0.20  -0.02
    18   1     0.01   0.02  -0.16    -0.03  -0.12  -0.08    -0.14  -0.29   0.04
    19   1    -0.02   0.20  -0.07    -0.14  -0.36  -0.12     0.01  -0.20  -0.01
                      4                      5                      6
                      A                      A                      A
 Frequencies --    212.9229               220.2118               262.8489
 Red. masses --      1.0661                 1.1037                 1.8168
 Frc consts  --      0.0285                 0.0315                 0.0740
 IR Inten    --      7.5512                23.7414                 3.6001
 RamAct Fr= 1--      0.1025                 0.0914                 0.3978
  Dep-P Fr= 1--      0.5521                 0.7261                 0.2330
  Dep-U Fr= 1--      0.7114                 0.8413                 0.3779
 Alpha2 Fr= 1--      0.0004                 0.0000                 0.0049
 Beta2  Fr= 1--      0.0122                 0.0128                 0.0251
 AlphaG Fr= 1--      0.0009                 0.0009                -0.0065
 Gamma2 Fr= 1--     -0.0225                -0.0526                -0.0784
 Delta2 Fr= 1--     -0.0036                 0.0105                -0.0480
 Raman1 Fr= 1--       0.410                  0.365                  1.591
 ROA1   Fr= 1--      -2.275                 -4.718                 -9.060
 CID1   Fr= 1--      -5.548                -12.911                 -5.694
 Raman2 Fr= 1--       0.146                  0.154                  0.301
 ROA2   Fr= 1--      -0.511                 -1.347                 -1.497
 CID2   Fr= 1--      -3.503                 -8.766                 -4.979
 Raman3 Fr= 1--       0.292                  0.307                  0.601
 ROA3   Fr= 1--      -2.275                 -4.718                 -9.060
 CID3   Fr= 1--      -7.798                -15.346                -15.067
 RC180  Fr= 1--       0.423                  0.683                 -0.244
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04   0.01     0.02  -0.01   0.02    -0.03   0.01   0.01
     2   6     0.01   0.00  -0.01     0.00   0.02   0.01    -0.01   0.00   0.05
     3   6     0.00  -0.01  -0.02    -0.01  -0.00  -0.00    -0.01   0.03   0.05
     4   6    -0.00  -0.01  -0.00    -0.01  -0.01   0.01    -0.01   0.03   0.03
     5   8     0.02   0.01  -0.00    -0.02  -0.01  -0.00    -0.08  -0.03   0.02
     6   6    -0.02  -0.01  -0.01     0.03   0.02   0.01     0.10  -0.12   0.04
     7   7     0.00  -0.02   0.00    -0.01   0.01  -0.06    -0.01   0.08  -0.11
     8   8    -0.02  -0.00   0.01    -0.01   0.00  -0.02     0.05   0.02  -0.02
     9   1    -0.01  -0.00  -0.02    -0.02  -0.04  -0.00     0.00  -0.07   0.05
    10   1     0.03  -0.00  -0.02    -0.00   0.02   0.02    -0.05   0.03   0.00
    11   1     0.01   0.03   0.01    -0.03  -0.00  -0.03    -0.06  -0.07  -0.04
    12   1    -0.21  -0.05   0.24    -0.37  -0.08   0.30     0.17   0.05  -0.38
    13   1     0.30  -0.11   0.07     0.49  -0.06   0.05    -0.23   0.27  -0.18
    14   1     0.28  -0.09  -0.01     0.20  -0.03   0.02     0.48  -0.25   0.09
    15   1    -0.11   0.29  -0.02    -0.00   0.17   0.04     0.04   0.19   0.11
    16   1    -0.25  -0.23  -0.00    -0.08  -0.10  -0.01    -0.14  -0.43  -0.09
    17   1    -0.21   0.18  -0.28     0.23  -0.14   0.31    -0.05   0.02  -0.02
    18   1     0.09   0.30   0.32    -0.07  -0.26  -0.24    -0.01   0.04   0.01
    19   1     0.15  -0.32   0.03    -0.07   0.34   0.01    -0.06  -0.02   0.01
                      7                      8                      9
                      A                      A                      A
 Frequencies --    265.7551               295.0881               334.4582
 Red. masses --      1.3991                 3.1095                 3.2511
 Frc consts  --      0.0582                 0.1595                 0.2143
 IR Inten    --     10.2376                 3.9312                 3.3343
 RamAct Fr= 1--      0.0777                 0.2037                 1.3018
  Dep-P Fr= 1--      0.5234                 0.5675                 0.3270
  Dep-U Fr= 1--      0.6871                 0.7241                 0.4928
 Alpha2 Fr= 1--      0.0003                 0.0007                 0.0123
 Beta2  Fr= 1--      0.0089                 0.0246                 0.1069
 AlphaG Fr= 1--      0.0011                -0.0023                 0.0010
 Gamma2 Fr= 1--     -0.0609                 0.0732                -0.1642
 Delta2 Fr= 1--      0.0244                 0.1147                -0.0905
 Raman1 Fr= 1--       0.311                  0.815                  5.207
 ROA1   Fr= 1--      -5.065                 10.694                -18.659
 CID1   Fr= 1--     -16.304                 13.122                 -3.583
 Raman2 Fr= 1--       0.107                  0.295                  1.283
 ROA2   Fr= 1--      -1.656                  0.838                 -3.216
 CID2   Fr= 1--     -15.515                  2.842                 -2.506
 Raman3 Fr= 1--       0.213                  0.590                  2.566
 ROA3   Fr= 1--      -5.065                 10.694                -18.659
 CID3   Fr= 1--     -23.727                 18.122                 -7.271
 RC180  Fr= 1--       0.374                  0.448                 -0.014
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.03   0.03    -0.14   0.14  -0.06    -0.19   0.05  -0.11
     2   6     0.01  -0.01  -0.04    -0.05  -0.05   0.02    -0.05  -0.02   0.12
     3   6     0.00  -0.03  -0.03    -0.01  -0.04   0.01     0.03  -0.02   0.00
     4   6    -0.00  -0.02  -0.02    -0.02   0.00   0.02     0.09  -0.01  -0.08
     5   8     0.05   0.03  -0.01    -0.08  -0.06   0.02     0.21   0.08  -0.06
     6   6    -0.01   0.06  -0.04    -0.09   0.07   0.02    -0.04  -0.07   0.14
     7   7    -0.03  -0.05   0.08     0.30  -0.08  -0.01    -0.10  -0.01   0.01
     8   8    -0.06  -0.02   0.03     0.05  -0.01  -0.01     0.06  -0.02  -0.02
     9   1     0.01   0.04  -0.03    -0.04  -0.06   0.01     0.17  -0.05   0.01
    10   1     0.04  -0.02  -0.03     0.02  -0.07   0.05    -0.06  -0.02   0.14
    11   1     0.05   0.05   0.04    -0.06  -0.11  -0.03     0.19   0.16   0.09
    12   1     0.25   0.03  -0.17     0.49   0.09  -0.03    -0.25  -0.10   0.08
    13   1    -0.43  -0.06  -0.00     0.33   0.00  -0.01    -0.07  -0.08   0.03
    14   1     0.35  -0.01  -0.13    -0.02   0.08  -0.05     0.01  -0.11   0.21
    15   1    -0.11   0.46  -0.01    -0.13   0.19   0.01    -0.06  -0.04   0.11
    16   1    -0.28  -0.20   0.03    -0.16   0.04   0.12    -0.10  -0.14   0.09
    17   1     0.09  -0.05   0.26    -0.24   0.13   0.04    -0.18   0.05  -0.12
    18   1    -0.01  -0.10  -0.12    -0.02   0.18  -0.25    -0.05   0.07  -0.39
    19   1     0.03   0.28   0.01    -0.28   0.29  -0.06    -0.51   0.14  -0.11
                     10                     11                     12
                      A                      A                      A
 Frequencies --    395.1781               465.4944               570.4598
 Red. masses --      2.3729                 4.0234                 2.2409
 Frc consts  --      0.2183                 0.5137                 0.4297
 IR Inten    --      1.8310                 7.8585                38.9588
 RamAct Fr= 1--      0.5062                 3.8089                 1.3730
  Dep-P Fr= 1--      0.2952                 0.1845                 0.7078
  Dep-U Fr= 1--      0.4558                 0.3115                 0.8289
 Alpha2 Fr= 1--      0.0053                 0.0539                 0.0010
 Beta2  Fr= 1--      0.0385                 0.1977                 0.1897
 AlphaG Fr= 1--     -0.0256                 0.0345                 0.0152
 Gamma2 Fr= 1--      0.1045                 0.6766                -1.2948
 Delta2 Fr= 1--     -0.0578                -0.0599                 0.1695
 Raman1 Fr= 1--       2.025                 15.236                  5.492
 ROA1   Fr= 1--       8.184                 63.038               -118.875
 CID1   Fr= 1--       4.042                  4.138                -21.645
 Raman2 Fr= 1--       0.461                  2.373                  2.276
 ROA2   Fr= 1--       2.971                 16.718                -32.431
 CID2   Fr= 1--       6.438                  7.046                -14.248
 Raman3 Fr= 1--       0.923                  4.746                  4.553
 ROA3   Fr= 1--       8.184                 63.038               -118.875
 CID3   Fr= 1--       8.867                 13.284                -26.112
 RC180  Fr= 1--      -0.088                 -0.377                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.12  -0.00   0.16    -0.05   0.00   0.05    -0.05  -0.01   0.03
     2   6    -0.15  -0.03  -0.02    -0.03  -0.19  -0.08    -0.04  -0.00  -0.04
     3   6    -0.06   0.05  -0.09    -0.01  -0.12   0.05    -0.00   0.02   0.14
     4   6    -0.03   0.03  -0.09     0.08   0.07   0.14     0.05  -0.15   0.09
     5   8     0.06   0.00  -0.02    -0.04   0.09   0.07     0.11  -0.01  -0.03
     6   6     0.15   0.01  -0.04    -0.01   0.05  -0.11    -0.01   0.01  -0.07
     7   7     0.04  -0.00   0.01    -0.13  -0.11  -0.03     0.03   0.11   0.00
     8   8     0.02  -0.05   0.02     0.23   0.14  -0.08    -0.06  -0.06  -0.05
     9   1     0.01   0.08  -0.08    -0.16  -0.16   0.04    -0.11   0.06   0.13
    10   1    -0.18  -0.03  -0.01    -0.02  -0.19  -0.08    -0.10   0.03  -0.08
    11   1     0.15  -0.07   0.20    -0.13   0.18  -0.14    -0.32   0.54  -0.51
    12   1     0.07   0.10   0.10    -0.30  -0.28  -0.03     0.03   0.04  -0.09
    13   1     0.10  -0.09   0.03    -0.13  -0.09  -0.03     0.13   0.32  -0.00
    14   1     0.20   0.04  -0.17    -0.01   0.16  -0.39    -0.01   0.05  -0.16
    15   1     0.32  -0.07   0.28     0.00   0.17  -0.01     0.00   0.05  -0.03
    16   1     0.34   0.10  -0.26     0.01   0.16   0.08     0.01   0.06  -0.04
    17   1    -0.23  -0.00   0.26    -0.28   0.01   0.22    -0.10  -0.01   0.06
    18   1    -0.16   0.03   0.30     0.03   0.10   0.07    -0.06   0.01   0.08
    19   1     0.10   0.05   0.15     0.09   0.15   0.05     0.02   0.01   0.03
                     13                     14                     15
                      A                      A                      A
 Frequencies --    610.1755               652.1450               720.2142
 Red. masses --      2.7240                 1.7119                 2.8649
 Frc consts  --      0.5975                 0.4290                 0.8755
 IR Inten    --     26.0524                61.8391                41.4201
 RamAct Fr= 1--      0.4872                 2.9699                13.1877
  Dep-P Fr= 1--      0.7427                 0.0967                 0.0620
  Dep-U Fr= 1--      0.8524                 0.1763                 0.1168
 Alpha2 Fr= 1--      0.0001                 0.0524                 0.2531
 Beta2  Fr= 1--      0.0692                 0.0873                 0.2567
 AlphaG Fr= 1--     -0.0006                 0.0378                 0.1868
 Gamma2 Fr= 1--      0.4732                -0.0335                -0.9315
 Delta2 Fr= 1--      0.2958                 0.0290                 0.1312
 Raman1 Fr= 1--       1.949                 11.880                 52.751
 ROA1   Fr= 1--      54.895                 -2.287                -85.227
 CID1   Fr= 1--      28.171                 -0.193                 -1.616
 Raman2 Fr= 1--       0.830                  1.047                  3.080
 ROA2   Fr= 1--       8.992                 -1.036                -23.405
 CID2   Fr= 1--      10.827                 -0.989                 -7.598
 Raman3 Fr= 1--       1.661                  2.095                  6.161
 ROA3   Fr= 1--      54.895                 -2.287                -85.227
 CID3   Fr= 1--      33.050                 -1.092                -13.834
 RC180  Fr= 1--       0.705                 -0.647                 -0.766
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.01  -0.01     0.04  -0.00  -0.01    -0.09   0.00   0.04
     2   6    -0.04   0.21   0.01     0.03  -0.05  -0.01    -0.05   0.15  -0.01
     3   6    -0.14  -0.04  -0.03    -0.05  -0.01   0.12     0.06  -0.05   0.08
     4   6    -0.07  -0.06   0.05    -0.07  -0.06   0.00     0.18  -0.06   0.15
     5   8     0.03   0.10   0.06    -0.00   0.09  -0.03    -0.00  -0.03  -0.14
     6   6     0.00   0.01   0.02    -0.00  -0.00  -0.02    -0.01   0.03  -0.09
     7   7     0.02  -0.15  -0.00     0.01   0.06  -0.00     0.00  -0.08  -0.01
     8   8     0.11  -0.04  -0.10     0.02  -0.06  -0.09    -0.06   0.11   0.01
     9   1    -0.24  -0.09  -0.03    -0.05   0.02   0.12    -0.06  -0.10   0.07
    10   1     0.07   0.15   0.07     0.02  -0.04  -0.04    -0.03   0.14  -0.00
    11   1    -0.18   0.44   0.06     0.31  -0.17   0.82     0.39  -0.57   0.25
    12   1     0.28   0.08  -0.03     0.00   0.01  -0.05     0.02  -0.12  -0.08
    13   1     0.01  -0.15  -0.01     0.15   0.24   0.01    -0.00   0.01  -0.02
    14   1     0.05  -0.12   0.30    -0.04   0.05  -0.11     0.03  -0.05   0.08
    15   1     0.03  -0.13  -0.00    -0.04   0.07  -0.06     0.02  -0.07  -0.07
    16   1    -0.00  -0.12  -0.24    -0.03   0.04   0.13    -0.00  -0.05  -0.30
    17   1     0.32  -0.03  -0.12    -0.01   0.01   0.01     0.10  -0.03  -0.03
    18   1    -0.18  -0.18   0.10     0.06   0.03  -0.01    -0.25  -0.13   0.13
    19   1     0.06  -0.15   0.00     0.06   0.02  -0.01    -0.06  -0.11   0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    821.9905               834.1573               901.4464
 Red. masses --      2.0755                 3.3812                 2.1094
 Frc consts  --      0.8263                 1.3862                 1.0099
 IR Inten    --    105.5367                 4.2802                63.8798
 RamAct Fr= 1--      0.6264                 6.4756                 0.8386
  Dep-P Fr= 1--      0.7485                 0.0542                 0.6165
  Dep-U Fr= 1--      0.8562                 0.1028                 0.7628
 Alpha2 Fr= 1--      0.0000                 0.1266                 0.0021
 Beta2  Fr= 1--      0.0894                 0.1110                 0.1066
 AlphaG Fr= 1--      0.0012                -0.1064                -0.0023
 Gamma2 Fr= 1--     -0.1703                 0.2519                -0.0889
 Delta2 Fr= 1--      0.0749                 0.1022                 0.0748
 Raman1 Fr= 1--       2.506                 25.902                  3.354
 ROA1   Fr= 1--     -13.952                 27.452                 -6.142
 CID1   Fr= 1--      -5.568                  1.060                 -1.831
 Raman2 Fr= 1--       1.073                  1.332                  1.279
 ROA2   Fr= 1--      -4.687                  5.227                 -2.733
 CID2   Fr= 1--      -4.370                  3.925                 -2.136
 Raman3 Fr= 1--       2.145                  2.663                  2.559
 ROA3   Fr= 1--     -13.952                 27.452                 -6.142
 CID3   Fr= 1--      -6.504                 10.308                 -2.401
 RC180  Fr= 1--       0.712                 -0.794                  0.526
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.01  -0.04     0.07  -0.02  -0.05    -0.07  -0.06   0.07
     2   6    -0.01  -0.04  -0.02    -0.03  -0.08  -0.08     0.10   0.00   0.05
     3   6    -0.15   0.03   0.07    -0.08   0.07  -0.20     0.11   0.08  -0.09
     4   6     0.02   0.08  -0.03     0.12  -0.15   0.22     0.03  -0.07   0.04
     5   8     0.08  -0.06  -0.07    -0.02   0.03  -0.06    -0.06   0.05   0.05
     6   6    -0.00  -0.01   0.05    -0.01  -0.02   0.19     0.03   0.02  -0.08
     7   7    -0.11  -0.10  -0.01     0.01   0.07   0.01    -0.11  -0.05   0.00
     8   8     0.01   0.05   0.05    -0.03   0.04  -0.06    -0.01  -0.03  -0.03
     9   1    -0.16   0.06   0.07    -0.43   0.11  -0.22     0.17   0.10  -0.09
    10   1    -0.03  -0.02  -0.04    -0.09  -0.09  -0.01    -0.02   0.01   0.11
    11   1     0.10  -0.14  -0.20     0.06  -0.07   0.10    -0.05   0.05   0.07
    12   1     0.45   0.33  -0.13     0.08   0.26   0.15     0.42   0.40  -0.05
    13   1     0.55   0.32   0.06    -0.14  -0.24   0.01     0.43   0.09   0.07
    14   1    -0.01   0.03  -0.03     0.04  -0.00   0.11    -0.04  -0.03   0.07
    15   1    -0.01   0.04   0.07     0.06  -0.01   0.37    -0.04  -0.04  -0.28
    16   1     0.00   0.04   0.15     0.05   0.02   0.14    -0.04  -0.04  -0.03
    17   1     0.04   0.00   0.01    -0.18   0.01   0.08    -0.25   0.00   0.03
    18   1     0.06   0.02   0.00     0.21   0.14  -0.07     0.14   0.10  -0.12
    19   1     0.15   0.04  -0.04     0.15   0.15  -0.06    -0.31   0.02   0.07
                     19                     20                     21
                      A                      A                      A
 Frequencies --    939.5196               950.7170               974.6172
 Red. masses --      1.2931                 1.9895                 1.5450
 Frc consts  --      0.6725                 1.0595                 0.8646
 IR Inten    --     13.5562                 8.9767                 3.6334
 RamAct Fr= 1--      1.3398                 4.5264                 1.9668
  Dep-P Fr= 1--      0.5269                 0.7002                 0.7210
  Dep-U Fr= 1--      0.6902                 0.8236                 0.8379
 Alpha2 Fr= 1--      0.0058                 0.0039                 0.0010
 Beta2  Fr= 1--      0.1541                 0.6214                 0.2747
 AlphaG Fr= 1--     -0.0081                -0.0042                -0.0053
 Gamma2 Fr= 1--      0.8411                 0.4870                 0.1975
 Delta2 Fr= 1--      0.4623                -0.1479                 0.1395
 Raman1 Fr= 1--       5.359                 18.106                  7.867
 ROA1   Fr= 1--      95.538                 42.019                 23.424
 CID1   Fr= 1--      17.827                  2.321                  2.977
 Raman2 Fr= 1--       1.849                  7.456                  3.296
 ROA2   Fr= 1--      16.488                 12.871                  3.624
 CID2   Fr= 1--       8.916                  1.726                  1.100
 Raman3 Fr= 1--       3.699                 14.913                  6.592
 ROA3   Fr= 1--      95.538                 42.019                 23.424
 CID3   Fr= 1--      25.830                  2.818                  3.553
 RC180  Fr= 1--       0.380                  0.647                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.05   0.03     0.05  -0.01  -0.10    -0.12   0.04  -0.02
     2   6    -0.05   0.00   0.01    -0.11   0.03  -0.07     0.04   0.02  -0.09
     3   6     0.06   0.02  -0.01     0.17   0.03   0.05     0.04   0.02  -0.01
     4   6     0.01  -0.02   0.01     0.01  -0.02  -0.03     0.01  -0.01  -0.01
     5   8    -0.02   0.02   0.02    -0.04   0.03   0.05    -0.02   0.01   0.02
     6   6    -0.07  -0.06   0.01    -0.04   0.03   0.07     0.07  -0.05   0.09
     7   7    -0.02  -0.03  -0.00    -0.03  -0.08  -0.01    -0.01  -0.02  -0.01
     8   8    -0.01  -0.01  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.01
     9   1     0.13   0.04  -0.01     0.27   0.13   0.05     0.08   0.05  -0.01
    10   1     0.06   0.10  -0.33    -0.40   0.07   0.03     0.11   0.07  -0.28
    11   1    -0.02   0.01   0.02    -0.03   0.03   0.05    -0.01   0.00   0.01
    12   1     0.06   0.02  -0.04     0.01  -0.17  -0.16     0.03   0.01  -0.01
    13   1     0.09   0.03   0.01     0.14   0.15  -0.01     0.04  -0.00   0.00
    14   1     0.11   0.09  -0.46     0.05  -0.05   0.20    -0.14   0.09  -0.08
    15   1     0.10   0.13   0.48     0.05  -0.08   0.21    -0.09   0.14  -0.15
    16   1     0.16   0.16  -0.02     0.03  -0.02  -0.20    -0.04   0.06   0.57
    17   1     0.30   0.06  -0.25    -0.22  -0.02   0.21     0.15  -0.06   0.07
    18   1     0.01  -0.08  -0.14     0.06   0.13   0.12    -0.46  -0.20   0.28
    19   1    -0.27  -0.17   0.04     0.46   0.25  -0.12     0.23  -0.09  -0.02
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1066.4707              1092.5092              1160.7584
 Red. masses --      1.5746                 1.6258                 2.3788
 Frc consts  --      1.0552                 1.1433                 1.8884
 IR Inten    --     41.5288                20.3666               134.9912
 RamAct Fr= 1--      4.2027                 4.2577                 0.6648
  Dep-P Fr= 1--      0.4153                 0.5663                 0.4695
  Dep-U Fr= 1--      0.5869                 0.7231                 0.6390
 Alpha2 Fr= 1--      0.0294                 0.0148                 0.0038
 Beta2  Fr= 1--      0.4111                 0.5131                 0.0708
 AlphaG Fr= 1--     -0.0309                -0.0198                 0.0057
 Gamma2 Fr= 1--      0.3038                -1.2783                -0.3351
 Delta2 Fr= 1--      0.5793                -0.5954                -0.6001
 Raman1 Fr= 1--      16.811                 17.031                  2.659
 ROA1   Fr= 1--      47.703               -141.767                -51.372
 CID1   Fr= 1--       2.838                 -8.324                -19.319
 Raman2 Fr= 1--       4.933                  6.157                  0.850
 ROA2   Fr= 1--       2.656                -25.916                 -3.241
 CID2   Fr= 1--       0.538                 -4.209                 -3.815
 Raman3 Fr= 1--       9.866                 12.315                  1.699
 ROA3   Fr= 1--      47.703               -141.767                -51.372
 CID3   Fr= 1--       4.835                -11.512                -30.232
 RC180  Fr= 1--       0.174                  0.446                  0.278
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.05  -0.00    -0.03  -0.05   0.09     0.04   0.04   0.01
     2   6     0.03  -0.08  -0.06     0.07   0.02  -0.13    -0.06  -0.05   0.05
     3   6     0.03  -0.11  -0.04     0.01   0.07   0.03    -0.12   0.08   0.02
     4   6     0.02   0.00  -0.03    -0.04   0.02  -0.01     0.17  -0.06  -0.08
     5   8    -0.02   0.03   0.03     0.01  -0.02  -0.02    -0.05   0.12   0.11
     6   6    -0.05   0.06   0.03     0.00   0.03   0.07     0.04  -0.00  -0.03
     7   7    -0.03   0.07   0.05     0.03  -0.08  -0.01     0.04  -0.05  -0.01
     8   8     0.00  -0.01  -0.00     0.00   0.00   0.01    -0.04  -0.06  -0.03
     9   1    -0.07   0.16  -0.05    -0.35   0.50  -0.00    -0.02   0.33   0.02
    10   1     0.45  -0.25   0.12     0.10   0.04  -0.20    -0.06  -0.08   0.17
    11   1     0.03  -0.08  -0.07    -0.02   0.07   0.07     0.21  -0.49  -0.48
    12   1     0.05   0.03  -0.10    -0.18  -0.40  -0.16    -0.15  -0.27  -0.07
    13   1     0.19   0.34   0.06    -0.05   0.16  -0.05    -0.07   0.13  -0.04
    14   1     0.13  -0.09   0.25     0.03  -0.02   0.18    -0.08   0.01   0.02
    15   1     0.08  -0.14   0.19     0.02  -0.04   0.07    -0.04   0.01  -0.20
    16   1     0.01  -0.07  -0.39     0.00  -0.02  -0.01    -0.06  -0.04   0.10
    17   1     0.20  -0.02  -0.03    -0.16   0.02  -0.07     0.16   0.03  -0.08
    18   1    -0.26  -0.16   0.09     0.16   0.05  -0.16     0.02  -0.02  -0.05
    19   1     0.04  -0.12   0.00    -0.36  -0.04   0.09    -0.02  -0.05   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1173.5198              1209.7981              1230.6545
 Red. masses --      2.0171                 2.1235                 1.7620
 Frc consts  --      1.6366                 1.8311                 1.5723
 IR Inten    --     68.2642                 4.4973                10.5687
 RamAct Fr= 1--      4.7093                 2.4236                 1.9899
  Dep-P Fr= 1--      0.5950                 0.5606                 0.4636
  Dep-U Fr= 1--      0.7461                 0.7185                 0.6335
 Alpha2 Fr= 1--      0.0136                 0.0087                 0.0115
 Beta2  Fr= 1--      0.5856                 0.2902                 0.2101
 AlphaG Fr= 1--     -0.0004                -0.0116                 0.0131
 Gamma2 Fr= 1--      0.1500                -0.4291                -0.5635
 Delta2 Fr= 1--      0.3779                 0.1907                -0.4049
 Raman1 Fr= 1--      18.837                  9.694                  7.960
 ROA1   Fr= 1--      26.499                -35.094                -67.055
 CID1   Fr= 1--       1.407                 -3.620                 -8.424
 Raman2 Fr= 1--       7.027                  3.483                  2.521
 ROA2   Fr= 1--       0.578                -11.824                -10.285
 CID2   Fr= 1--       0.082                 -3.395                 -4.079
 Raman3 Fr= 1--      14.054                  6.965                  5.042
 ROA3   Fr= 1--      26.499                -35.094                -67.055
 CID3   Fr= 1--       1.886                 -5.039                -13.298
 RC180  Fr= 1--       0.492                  0.437                  0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.11   0.01    -0.08  -0.03  -0.09     0.01  -0.04  -0.03
     2   6     0.09   0.13  -0.08     0.17   0.00   0.11    -0.03   0.12   0.07
     3   6    -0.04  -0.12   0.05    -0.05   0.14   0.03    -0.01  -0.11  -0.12
     4   6     0.04   0.01  -0.08     0.02  -0.01  -0.01    -0.03   0.00   0.03
     5   8    -0.01   0.07   0.06    -0.00  -0.01  -0.01     0.00  -0.01  -0.01
     6   6    -0.05  -0.02   0.04    -0.11  -0.04  -0.04     0.01  -0.09  -0.02
     7   7     0.00   0.06   0.01     0.01  -0.06  -0.04     0.01   0.02   0.07
     8   8    -0.01  -0.03  -0.01    -0.01  -0.00   0.00     0.01   0.02   0.00
     9   1    -0.09  -0.36   0.04    -0.09   0.20   0.04    -0.05   0.34  -0.13
    10   1     0.05   0.21  -0.29     0.32  -0.06   0.22     0.09   0.01   0.29
    11   1     0.16  -0.34  -0.31    -0.03   0.06   0.06    -0.01   0.01   0.01
    12   1     0.08   0.20   0.10    -0.05  -0.05   0.04    -0.10  -0.32  -0.20
    13   1    -0.01  -0.06   0.02    -0.10  -0.17  -0.05     0.15   0.52   0.04
    14   1     0.07   0.01  -0.10     0.19  -0.01  -0.29    -0.08   0.06  -0.32
    15   1     0.03   0.06   0.24     0.06   0.01   0.32    -0.05   0.17  -0.00
    16   1     0.09   0.09  -0.03     0.14   0.11  -0.26     0.06   0.07   0.19
    17   1    -0.40  -0.03   0.12    -0.12  -0.11   0.27    -0.15  -0.02   0.08
    18   1     0.17   0.13  -0.01    -0.18   0.02   0.25     0.08   0.09   0.04
    19   1    -0.08   0.15   0.00     0.32   0.09  -0.09     0.08   0.14  -0.04
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1296.8328              1345.4981              1368.8359
 Red. masses --      1.2772                 2.2696                 1.4151
 Frc consts  --      1.2656                 2.4209                 1.5622
 IR Inten    --      0.8412                28.0251                 3.7505
 RamAct Fr= 1--      3.4245                 3.4952                 5.8963
  Dep-P Fr= 1--      0.6733                 0.6689                 0.6121
  Dep-U Fr= 1--      0.8047                 0.8016                 0.7594
 Alpha2 Fr= 1--      0.0047                 0.0050                 0.0149
 Beta2  Fr= 1--      0.4593                 0.4670                 0.7463
 AlphaG Fr= 1--     -0.0095                -0.0055                 0.0628
 Gamma2 Fr= 1--     -0.0146                 0.7095                -0.4467
 Delta2 Fr= 1--     -0.5679                 0.2089                -1.1707
 Raman1 Fr= 1--      13.698                 13.981                 23.585
 ROA1   Fr= 1--     -19.578                 74.793                -80.346
 CID1   Fr= 1--      -1.429                  5.350                 -3.407
 Raman2 Fr= 1--       5.512                  5.604                  8.955
 ROA2   Fr= 1--       4.192                 15.355                 -1.355
 CID2   Fr= 1--       0.761                  2.740                 -0.151
 Raman3 Fr= 1--      11.023                 11.207                 17.910
 ROA3   Fr= 1--     -19.578                 74.793                -80.346
 CID3   Fr= 1--      -1.776                  6.674                 -4.486
 RC180  Fr= 1--       0.609                  0.603                  0.519
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03   0.00     0.02  -0.02   0.01     0.02  -0.05  -0.00
     2   6     0.01  -0.00  -0.02    -0.05   0.03  -0.03    -0.13   0.04  -0.03
     3   6    -0.13   0.02  -0.03    -0.04  -0.03   0.04     0.06   0.04   0.06
     4   6     0.02  -0.03   0.04     0.22  -0.05  -0.18    -0.04   0.00   0.02
     5   8    -0.01  -0.01  -0.01    -0.08  -0.04   0.02     0.02   0.01  -0.00
     6   6    -0.00   0.03   0.01     0.01  -0.02   0.01     0.03  -0.02  -0.01
     7   7     0.02  -0.01   0.01    -0.00   0.01  -0.00    -0.01  -0.00  -0.04
     8   8     0.00   0.03   0.01    -0.02   0.06   0.05     0.00  -0.01  -0.01
     9   1     0.85  -0.03   0.04    -0.19  -0.07   0.02     0.04   0.11   0.06
    10   1     0.26   0.03  -0.29     0.17  -0.09   0.16     0.80  -0.26   0.18
    11   1    -0.05   0.09   0.07    -0.31   0.57   0.58     0.06  -0.10  -0.10
    12   1    -0.07  -0.12  -0.03     0.04   0.08   0.03     0.06   0.15   0.07
    13   1    -0.00   0.16  -0.00     0.02  -0.00   0.00    -0.04  -0.26  -0.02
    14   1     0.02  -0.02   0.12    -0.06   0.02  -0.05    -0.12   0.01   0.01
    15   1     0.03  -0.04   0.03    -0.04   0.07  -0.04    -0.00   0.09   0.01
    16   1    -0.03  -0.02  -0.03     0.02   0.00   0.03    -0.04  -0.02   0.12
    17   1    -0.09  -0.01   0.01    -0.06   0.02  -0.04    -0.10   0.00  -0.05
    18   1     0.07   0.04  -0.03     0.05   0.00  -0.02     0.11   0.06  -0.02
    19   1     0.01   0.04  -0.01    -0.05   0.04   0.01     0.00   0.14  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1375.8114              1402.7931              1404.3504
 Red. masses --      1.3525                 1.2654                 1.2767
 Frc consts  --      1.5084                 1.4671                 1.4836
 IR Inten    --      0.9763                 8.7544                 7.9470
 RamAct Fr= 1--      3.6414                 2.9282                 0.2568
  Dep-P Fr= 1--      0.7140                 0.4668                 0.7500
  Dep-U Fr= 1--      0.8331                 0.6365                 0.8571
 Alpha2 Fr= 1--      0.0023                 0.0168                 0.0000
 Beta2  Fr= 1--      0.5056                 0.3106                 0.0367
 AlphaG Fr= 1--     -0.0013                 0.0158                -0.0000
 Gamma2 Fr= 1--     -1.2442                 1.0117                -0.0536
 Delta2 Fr= 1--      0.1237                 0.0239                -0.0376
 Raman1 Fr= 1--      14.566                 11.713                  1.027
 ROA1   Fr= 1--    -115.485                 97.891                 -6.351
 CID1   Fr= 1--      -7.929                  8.358                 -6.183
 Raman2 Fr= 1--       6.068                  3.727                  0.440
 ROA2   Fr= 1--     -30.850                 24.091                 -0.987
 CID2   Fr= 1--      -5.084                  6.463                 -2.241
 Raman3 Fr= 1--      12.135                  7.455                  0.880
 ROA3   Fr= 1--    -115.485                 97.891                 -6.351
 CID3   Fr= 1--      -9.517                 13.131                 -7.214
 RC180  Fr= 1--       0.666                  0.273                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.04    -0.00   0.00  -0.00    -0.10  -0.02   0.06
     2   6     0.05   0.03  -0.14     0.00   0.00   0.03     0.02   0.01  -0.05
     3   6    -0.03  -0.01   0.03    -0.01  -0.12   0.03    -0.00   0.03   0.00
     4   6    -0.01  -0.00   0.02    -0.00  -0.01   0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     6   6    -0.03  -0.05  -0.01     0.01   0.01   0.05    -0.00  -0.01   0.08
     7   7     0.00   0.00  -0.02    -0.00   0.02  -0.06     0.00  -0.00   0.01
     8   8     0.00   0.00  -0.00     0.01   0.02   0.01    -0.00  -0.00  -0.00
     9   1     0.36   0.11   0.06     0.15   0.76   0.04     0.05  -0.18   0.01
    10   1    -0.29  -0.17   0.71    -0.13   0.10  -0.16    -0.02  -0.07   0.20
    11   1     0.01  -0.02  -0.02    -0.01   0.01   0.01     0.01  -0.01  -0.01
    12   1     0.02   0.08   0.05     0.07   0.28   0.18    -0.01  -0.04  -0.02
    13   1    -0.04  -0.11  -0.01    -0.08  -0.24  -0.04     0.01   0.04   0.01
    14   1     0.03  -0.05  -0.01    -0.01   0.10  -0.19     0.04   0.11  -0.29
    15   1     0.03   0.09   0.20    -0.08  -0.05  -0.20    -0.14  -0.01  -0.24
    16   1     0.06   0.11   0.15     0.01  -0.09  -0.21     0.10  -0.05  -0.25
    17   1    -0.06   0.07  -0.05     0.03  -0.01   0.01     0.41  -0.05  -0.27
    18   1    -0.11  -0.15  -0.05     0.01   0.02   0.00     0.30   0.25  -0.27
    19   1    -0.16  -0.10   0.04     0.03   0.00  -0.00     0.40   0.12   0.02
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1425.3728              1487.7672              1495.4253
 Red. masses --      1.2457                 1.0409                 1.0504
 Frc consts  --      1.4912                 1.3574                 1.3840
 IR Inten    --      5.6415                 1.4044                 2.7627
 RamAct Fr= 1--      0.4291                 7.4441                 1.5429
  Dep-P Fr= 1--      0.6016                 0.7498                 0.7202
  Dep-U Fr= 1--      0.7512                 0.8570                 0.8374
 Alpha2 Fr= 1--      0.0012                 0.0000                 0.0008
 Beta2  Fr= 1--      0.0537                 1.0633                 0.2153
 AlphaG Fr= 1--      0.0005                 0.0007                 0.0028
 Gamma2 Fr= 1--     -0.1741                 0.1208                 0.1910
 Delta2 Fr= 1--      0.1780                -0.2319                 0.1283
 Raman1 Fr= 1--       1.717                 29.776                  6.172
 ROA1   Fr= 1--     -11.018                  4.174                 22.446
 CID1   Fr= 1--      -6.419                  0.140                  3.637
 Raman2 Fr= 1--       0.645                 12.760                  2.584
 ROA2   Fr= 1--      -5.602                  4.754                  3.559
 CID2   Fr= 1--      -8.689                  0.373                  1.377
 Raman3 Fr= 1--       1.290                 25.519                  5.168
 ROA3   Fr= 1--     -11.018                  4.174                 22.446
 CID3   Fr= 1--      -8.545                  0.164                  4.343
 RC180  Fr= 1--       0.502                  0.714                  0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.08  -0.02   0.02    -0.01   0.04   0.01    -0.01  -0.00  -0.04
     2   6     0.01  -0.00   0.02    -0.00  -0.00   0.02     0.01  -0.01  -0.03
     3   6    -0.00  -0.05   0.01     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     6   6    -0.01   0.00  -0.11     0.01  -0.03  -0.00     0.03  -0.02   0.01
     7   7    -0.00   0.01  -0.01     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   8     0.00   0.01   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     9   1    -0.03   0.22   0.00    -0.02   0.01   0.00     0.04  -0.04   0.00
    10   1    -0.08   0.05  -0.07     0.04   0.02  -0.08    -0.04  -0.02   0.04
    11   1    -0.01   0.02   0.02     0.00  -0.01  -0.00     0.00  -0.00  -0.00
    12   1     0.03   0.07   0.03    -0.00   0.00   0.01    -0.00   0.01   0.02
    13   1    -0.02  -0.07  -0.01    -0.01  -0.01  -0.00    -0.01   0.01  -0.00
    14   1    -0.01  -0.19   0.41    -0.19  -0.05   0.22    -0.36   0.07   0.08
    15   1     0.19   0.05   0.38    -0.14   0.44  -0.03    -0.03   0.32   0.11
    16   1    -0.09   0.14   0.39     0.25   0.15  -0.19     0.03  -0.10  -0.21
    17   1     0.33  -0.08  -0.12    -0.21   0.02   0.20     0.34  -0.20   0.36
    18   1     0.22   0.23  -0.13     0.04  -0.17  -0.44     0.16   0.37   0.31
    19   1     0.29   0.08   0.00     0.28  -0.42   0.02    -0.34  -0.12  -0.01
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1507.9898              1514.4094              1671.0791
 Red. masses --      1.0434                 1.0566                 1.0909
 Frc consts  --      1.3980                 1.4277                 1.7948
 IR Inten    --      9.4953                 7.1834                39.1632
 RamAct Fr= 1--      2.4244                 3.6002                 2.1263
  Dep-P Fr= 1--      0.7327                 0.7465                 0.5965
  Dep-U Fr= 1--      0.8458                 0.8549                 0.7473
 Alpha2 Fr= 1--      0.0007                 0.0002                 0.0061
 Beta2  Fr= 1--      0.3417                 0.5129                 0.2648
 AlphaG Fr= 1--      0.0043                -0.0007                -0.0076
 Gamma2 Fr= 1--     -0.3948                -0.5596                -0.1936
 Delta2 Fr= 1--      0.1366                -0.1254                 0.1525
 Raman1 Fr= 1--       9.698                 14.401                  8.505
 ROA1   Fr= 1--     -33.534                -57.734                -13.700
 CID1   Fr= 1--      -3.458                 -4.009                 -1.611
 Raman2 Fr= 1--       4.101                  6.155                  3.178
 ROA2   Fr= 1--     -10.569                -12.427                 -5.865
 CID2   Fr= 1--      -2.577                 -2.019                 -1.846
 Raman3 Fr= 1--       8.202                 12.311                  6.356
 ROA3   Fr= 1--     -33.534                -57.734                -13.700
 CID3   Fr= 1--      -4.089                 -4.690                 -2.156
 RC180  Fr= 1--       0.692                  0.710                  0.495
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.00    -0.00   0.02  -0.02    -0.00   0.00   0.00
     2   6    -0.01  -0.03   0.01    -0.04   0.02  -0.02    -0.01  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.01   0.00     0.03   0.01  -0.01
     4   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.01   0.00   0.00
     5   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.02  -0.03   0.00    -0.04   0.00   0.01    -0.00   0.00  -0.00
     7   7    -0.00   0.00   0.00    -0.00   0.01   0.00     0.02  -0.07  -0.03
     8   8     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9   1     0.01   0.03  -0.00     0.01   0.01   0.00    -0.02  -0.05  -0.01
    10   1    -0.03  -0.00  -0.07     0.07  -0.02   0.02     0.02  -0.02   0.02
    11   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    12   1     0.01  -0.00  -0.02     0.01  -0.01  -0.03    -0.12   0.33   0.59
    13   1    -0.01  -0.02   0.00     0.01  -0.04   0.01    -0.33   0.61  -0.14
    14   1     0.18  -0.18   0.26     0.53  -0.14  -0.02     0.04  -0.03   0.02
    15   1    -0.22   0.32  -0.23    -0.07  -0.25  -0.27    -0.00  -0.01  -0.01
    16   1     0.41   0.37  -0.09     0.15   0.28   0.22     0.02   0.03   0.03
    17   1     0.07   0.05  -0.28     0.12  -0.13   0.40     0.00  -0.00  -0.00
    18   1    -0.10   0.00   0.27     0.17   0.20  -0.03     0.00   0.00  -0.00
    19   1    -0.13   0.38  -0.02    -0.11  -0.35   0.01    -0.00  -0.00   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1802.5796              3030.0382              3034.7536
 Red. masses --      9.8702                 1.0356                 1.0364
 Frc consts  --     18.8958                 5.6021                 5.6238
 IR Inten    --    262.6337                32.6318                16.2757
 RamAct Fr= 1--     12.1138                30.6811               284.3585
  Dep-P Fr= 1--      0.1833                 0.0502                 0.0078
  Dep-U Fr= 1--      0.3098                 0.0956                 0.0156
 Alpha2 Fr= 1--      0.1719                 0.6057                 6.2044
 Beta2  Fr= 1--      0.6255                 0.4890                 0.7371
 AlphaG Fr= 1--     -0.0607                 0.0643                -0.1112
 Gamma2 Fr= 1--      0.8462                -1.6062                 1.0330
 Delta2 Fr= 1--     -1.1508                -1.3482                 0.9061
 Raman1 Fr= 1--      48.455                122.725               1137.434
 ROA1   Fr= 1--      44.406               -197.333                128.162
 CID1   Fr= 1--       0.916                 -1.608                  0.113
 Raman2 Fr= 1--       7.506                  5.868                  8.845
 ROA2   Fr= 1--      29.514                -27.763                 17.544
 CID2   Fr= 1--       3.932                 -4.731                  1.983
 Raman3 Fr= 1--      15.013                 11.736                 17.690
 ROA3   Fr= 1--      44.406               -197.333                128.162
 CID3   Fr= 1--       2.958                -16.815                  7.245
 RC180  Fr= 1--      -0.380                 -0.809                 -0.969
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01   0.00     0.02   0.00  -0.01     0.04   0.00  -0.02
     2   6    -0.01   0.02  -0.01     0.00   0.01   0.00    -0.00   0.00   0.00
     3   6    -0.04  -0.05  -0.01     0.00  -0.00  -0.00    -0.00   0.00   0.01
     4   6     0.30   0.60   0.25     0.00   0.00  -0.00    -0.00  -0.00   0.00
     5   8    -0.02  -0.05  -0.02    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   6     0.00  -0.01   0.00     0.00  -0.01  -0.04    -0.00   0.00   0.02
     7   7    -0.01  -0.01  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   8    -0.16  -0.39  -0.18    -0.00  -0.00   0.00     0.00   0.00  -0.00
     9   1     0.11   0.12   0.01    -0.00   0.00   0.02     0.01  -0.00  -0.08
    10   1     0.05   0.01   0.01    -0.02  -0.09  -0.03    -0.00  -0.02  -0.01
    11   1    -0.17   0.32   0.32     0.00   0.00   0.00     0.00   0.00  -0.00
    12   1    -0.01   0.01   0.02    -0.00   0.00   0.00     0.00   0.00  -0.00
    13   1    -0.02  -0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.00     0.15   0.51   0.19    -0.08  -0.26  -0.10
    15   1    -0.01   0.03  -0.00    -0.46  -0.14   0.20     0.26   0.08  -0.11
    16   1     0.01   0.01   0.01     0.29  -0.29   0.12    -0.15   0.15  -0.06
    17   1    -0.02  -0.00   0.01    -0.04  -0.20  -0.06    -0.09  -0.38  -0.11
    18   1     0.03   0.02  -0.01    -0.20   0.18  -0.10    -0.37   0.32  -0.18
    19   1    -0.00  -0.00   0.00     0.01   0.02   0.30     0.02   0.03   0.58
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3045.5919              3054.7955              3090.5210
 Red. masses --      1.0835                 1.0838                 1.1019
 Frc consts  --      5.9213                 5.9587                 6.2008
 IR Inten    --      2.1089                13.3465                24.9360
 RamAct Fr= 1--     61.8851               115.6394                57.7888
  Dep-P Fr= 1--      0.6241                 0.0801                 0.7457
  Dep-U Fr= 1--      0.7685                 0.1483                 0.8543
 Alpha2 Fr= 1--      0.1422                 2.1251                 0.0043
 Beta2  Fr= 1--      7.9268                 2.8589                 8.2282
 AlphaG Fr= 1--      0.0247                -0.1827                -0.0187
 Gamma2 Fr= 1--      5.1644                -7.9487                 5.1478
 Delta2 Fr= 1--      4.6596                -5.0356                 4.0914
 Raman1 Fr= 1--     247.541                462.558                231.155
 ROA1   Fr= 1--     644.892               -924.216                625.116
 CID1   Fr= 1--       2.605                 -1.998                  2.704
 Raman2 Fr= 1--      95.122                 34.306                 98.739
 ROA2   Fr= 1--      86.670               -150.484                 90.817
 CID2   Fr= 1--       0.911                 -4.386                  0.920
 Raman3 Fr= 1--     190.244                 68.613                197.477
 ROA3   Fr= 1--     644.892               -924.216                625.116
 CID3   Fr= 1--       3.390                -13.470                  3.166
 RC180  Fr= 1--       0.537                 -0.703                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.01   0.00     0.01   0.00   0.00    -0.04   0.02  -0.07
     2   6    -0.02  -0.07  -0.02    -0.01  -0.02  -0.01    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.03     0.01  -0.00  -0.08     0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   8     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     6   6     0.01   0.02  -0.01     0.00   0.01   0.00     0.03   0.01  -0.00
     7   7    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     9   1     0.03  -0.00  -0.33    -0.07   0.01   0.93    -0.00  -0.00   0.04
    10   1     0.21   0.83   0.29     0.07   0.29   0.10    -0.00  -0.01  -0.00
    11   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    12   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   1    -0.00  -0.00   0.01     0.01   0.00  -0.02    -0.00   0.00   0.00
    14   1    -0.02  -0.08  -0.03    -0.02  -0.07  -0.03    -0.03  -0.14  -0.06
    15   1    -0.14  -0.03   0.06    -0.01  -0.00   0.01    -0.27  -0.08   0.12
    16   1     0.09  -0.08   0.04     0.03  -0.02   0.01    -0.10   0.11  -0.05
    17   1    -0.03  -0.13  -0.04    -0.02  -0.09  -0.02     0.01   0.08   0.00
    18   1     0.01  -0.01   0.01    -0.04   0.04  -0.02     0.46  -0.40   0.20
    19   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.01   0.04   0.65
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3091.8408              3096.4634              3111.8500
 Red. masses --      1.1013                 1.1006                 1.1005
 Frc consts  --      6.2031                 6.2173                 6.2787
 IR Inten    --     26.0084                33.4869                26.3683
 RamAct Fr= 1--     33.9709                87.9093                44.0578
  Dep-P Fr= 1--      0.6131                 0.6082                 0.7076
  Dep-U Fr= 1--      0.7602                 0.7564                 0.8288
 Alpha2 Fr= 1--      0.0854                 0.2297                 0.0324
 Beta2  Fr= 1--      4.3039                11.0817                 6.0856
 AlphaG Fr= 1--     -0.1070                 0.0266                -0.0594
 Gamma2 Fr= 1--     -5.1762                 4.8018                -3.7925
 Delta2 Fr= 1--     -4.9565                 6.5279                -3.6641
 Raman1 Fr= 1--     135.884                351.637                176.231
 ROA1   Fr= 1--    -655.519                669.861               -481.330
 CID1   Fr= 1--      -4.824                  1.905                 -2.731
 Raman2 Fr= 1--      51.647                132.980                 73.028
 ROA2   Fr= 1--     -84.576                 63.020                -61.706
 CID2   Fr= 1--      -1.638                  0.474                 -0.845
 Raman3 Fr= 1--     103.295                265.961                146.056
 ROA3   Fr= 1--    -655.519                669.861               -481.330
 CID3   Fr= 1--      -6.346                  2.519                 -3.296
 RC180  Fr= 1--       0.520                  0.513                  0.658
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02  -0.02    -0.01  -0.01  -0.02     0.00  -0.08  -0.03
     2   6    -0.00  -0.01  -0.01    -0.00   0.01   0.00    -0.00  -0.02  -0.01
     3   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     4   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.05  -0.07   0.00    -0.07   0.05  -0.00     0.00  -0.01   0.00
     7   7     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   1    -0.00   0.00   0.02     0.00   0.00  -0.01    -0.00  -0.00   0.02
    10   1     0.04   0.16   0.06    -0.01  -0.06  -0.02     0.04   0.17   0.06
    11   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    13   1    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   1     0.17   0.62   0.25    -0.08  -0.22  -0.09     0.03   0.11   0.05
    15   1     0.53   0.14  -0.24     0.35   0.12  -0.16     0.02   0.00  -0.01
    16   1    -0.10   0.07  -0.04     0.57  -0.56   0.26    -0.08   0.07  -0.03
    17   1    -0.03  -0.10  -0.04     0.03   0.13   0.03     0.20   0.80   0.22
    18   1     0.19  -0.16   0.09     0.09  -0.08   0.04    -0.26   0.21  -0.13
    19   1     0.00   0.02   0.17     0.00   0.01   0.18     0.01  -0.00   0.27
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3509.3280              3579.3258              3721.8114
 Red. masses --      1.0491                 1.0927                 1.0640
 Frc consts  --      7.6125                 8.2483                 8.6839
 IR Inten    --      1.6404                 4.6526                63.6087
 RamAct Fr= 1--    104.2105                41.6621               125.3671
  Dep-P Fr= 1--      0.1045                 0.6892                 0.2247
  Dep-U Fr= 1--      0.1892                 0.8160                 0.3670
 Alpha2 Fr= 1--      1.8047                 0.0444                 1.5930
 Beta2  Fr= 1--      3.2858                 5.6661                 7.6686
 AlphaG Fr= 1--      0.5401                 0.1328                 0.1026
 Gamma2 Fr= 1--      1.2888                 1.6572                 2.7438
 Delta2 Fr= 1--     -0.3057                 0.6231                -1.0438
 Raman1 Fr= 1--     416.842                166.648                501.468
 ROA1   Fr= 1--     113.946                179.027                230.003
 CID1   Fr= 1--       0.273                  1.074                  0.459
 Raman2 Fr= 1--      39.429                 67.994                 92.023
 ROA2   Fr= 1--      33.378                 34.787                 74.202
 CID2   Fr= 1--       0.847                  0.512                  0.806
 Raman3 Fr= 1--      78.858                135.987                184.045
 ROA3   Fr= 1--     113.946                179.027                230.003
 CID3   Fr= 1--       1.445                  1.317                  1.250
 RC180  Fr= 1--      -0.622                  0.632                 -0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     4   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   8    -0.00   0.00   0.00     0.00   0.00   0.00    -0.05  -0.03   0.01
     6   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     7   7     0.04  -0.04  -0.02    -0.02   0.03  -0.07     0.00   0.00   0.00
     8   8     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9   1    -0.00  -0.00   0.01    -0.00   0.00   0.02    -0.00   0.00   0.00
    10   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    11   1     0.00   0.00  -0.00     0.00   0.00   0.00     0.85   0.50  -0.16
    12   1    -0.42   0.44  -0.38     0.43  -0.43   0.34     0.00  -0.00   0.00
    13   1    -0.11   0.06   0.69    -0.14   0.07   0.69     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    16   1     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    17   1     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    18   1    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  7 and mass  14.00307
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   117.07898 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   603.543841265.765451368.64540
           X            0.99960  -0.02748  -0.00642
           Y            0.02671   0.99479  -0.09838
           Z            0.00909   0.09817   0.99513
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.14351     0.06843     0.06328
 Rotational constants (GHZ):           2.99024     1.42581     1.31863
 Zero-point vibrational energy     431372.7 (Joules/Mol)
                                  103.10056 (Kcal/Mol)
 Warning -- explicit consideration of  13 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     56.45   110.16   255.98   306.35   316.84
          (Kelvin)            378.18   382.36   424.57   481.21   568.57
                              669.74   820.76   877.91   938.29  1036.23
                             1182.66  1200.17  1296.98  1351.76  1367.87
                             1402.26  1534.41  1571.88  1670.07  1688.43
                             1740.63  1770.64  1865.85  1935.87  1969.45
                             1979.49  2018.31  2020.55  2050.79  2140.57
                             2151.58  2169.66  2178.90  2404.31  2593.51
                             4359.55  4366.33  4381.93  4395.17  4446.57
                             4448.47  4455.12  4477.26  5049.14  5149.85
                             5354.86
 
 Zero-point correction=                           0.164301 (Hartree/Particle)
 Thermal correction to Energy=                    0.173844
 Thermal correction to Enthalpy=                  0.174788
 Thermal correction to Gibbs Free Energy=         0.129724
 Sum of electronic and zero-point Energies=           -402.405090
 Sum of electronic and thermal Energies=              -402.395547
 Sum of electronic and thermal Enthalpies=            -402.394603
 Sum of electronic and thermal Free Energies=         -402.439667
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  109.089             34.416             94.845
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.188
 Rotational               0.889              2.981             28.438
 Vibrational            107.311             28.455             26.219
 Vibration     1          0.594              1.981              5.297
 Vibration     2          0.599              1.965              3.977
 Vibration     3          0.628              1.870              2.350
 Vibration     4          0.644              1.821              2.018
 Vibration     5          0.647              1.810              1.957
 Vibration     6          0.670              1.741              1.643
 Vibration     7          0.672              1.736              1.624
 Vibration     8          0.689              1.683              1.445
 Vibration     9          0.716              1.607              1.238
 Vibration    10          0.762              1.480              0.981
 Vibration    11          0.823              1.327              0.750
 Vibration    12          0.927              1.095              0.503
 Vibration    13          0.969              1.010              0.432
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.214403D-59        -59.668770       -137.392420
 Total V=0       0.802542D+16         15.904468         36.621391
 Vib (Bot)       0.117635D-72        -72.929464       -167.926297
 Vib (Bot)    1  0.527386D+01          0.722128          1.662762
 Vib (Bot)    2  0.269118D+01          0.429943          0.989979
 Vib (Bot)    3  0.112972D+01          0.052970          0.121969
 Vib (Bot)    4  0.931708D+00         -0.030720         -0.070736
 Vib (Bot)    5  0.898162D+00         -0.046645         -0.107404
 Vib (Bot)    6  0.737907D+00         -0.131998         -0.303937
 Vib (Bot)    7  0.728779D+00         -0.137404         -0.316385
 Vib (Bot)    8  0.646244D+00         -0.189603         -0.436578
 Vib (Bot)    9  0.557114D+00         -0.254056         -0.584985
 Vib (Bot)   10  0.452613D+00         -0.344273         -0.792717
 Vib (Bot)   11  0.363727D+00         -0.439225         -1.011353
 Vib (Bot)   12  0.269669D+00         -0.569169         -1.310561
 Vib (Bot)   13  0.242151D+00         -0.615913         -1.418193
 Vib (V=0)       0.440325D+03          2.643774          6.087514
 Vib (V=0)    1  0.579751D+01          0.763241          1.757428
 Vib (V=0)    2  0.323723D+01          0.510174          1.174719
 Vib (V=0)    3  0.173542D+01          0.239405          0.551250
 Vib (V=0)    4  0.155739D+01          0.192398          0.443013
 Vib (V=0)    5  0.152796D+01          0.184111          0.423932
 Vib (V=0)    6  0.139135D+01          0.143437          0.330275
 Vib (V=0)    7  0.138381D+01          0.141076          0.324840
 Vib (V=0)    8  0.131709D+01          0.119615          0.275423
 Vib (V=0)    9  0.124858D+01          0.096417          0.222009
 Vib (V=0)   10  0.117443D+01          0.069828          0.160785
 Vib (V=0)   11  0.111830D+01          0.048559          0.111811
 Vib (V=0)   12  0.106809D+01          0.028606          0.065868
 Vib (V=0)   13  0.105555D+01          0.023479          0.054063
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.497935D+08          7.697172         17.723394
 Rotational      0.366035D+06          5.563522         12.810483
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3    3  3        33333333                                         1   1  11111111111 1111 11                                    
     7    5  5        10000000                                         8   6  55444443332 2211 00 999 988   7 6 65   4 33222221      
     2    7  0        19995433                                         0   7  10982007649 3176 96 754 032   2 5 17   6 93966217   73 
     2    9  9        26215650                                         3   1  48585436957 1041 36 510 142   0 2 00   5 54563038   79 
 
     X    X  X        XXXXXXXX                                         X   X  XXXXXXXXXXX XXXX XX XXX XXX   X X XX   X XXXXXXXX   XX 
     X                XXXX   X                                         X   X           X    XX XX     X X   X X XX          X        
     X                 X                                               X   X                XX  X     X X   X X  X                   
     X                                                                 X                    XX        X X     X                      
     X                                                                 X                    XX        X X     X                      
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X          X                            
                                                                       X                     X                                       
                                                                       X                     X                                       
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000004353   -0.000000775    0.000006121
      2        6           0.000001141   -0.000003593   -0.000010850
      3        6           0.000005646    0.000003927   -0.000003901
      4        6          -0.000003124   -0.000009459    0.000002167
      5        8          -0.000001229    0.000001383   -0.000001055
      6        6          -0.000001475    0.000005482    0.000008125
      7        7          -0.000003520   -0.000002487    0.000009030
      8        8           0.000002374    0.000002955    0.000003342
      9        1          -0.000003391   -0.000000920   -0.000000224
     10        1           0.000000357   -0.000000377    0.000002720
     11        1           0.000002534    0.000002806   -0.000000496
     12        1           0.000005099   -0.000001615   -0.000004840
     13        1          -0.000003127    0.000001173   -0.000005244
     14        1          -0.000000708    0.000000919   -0.000001633
     15        1           0.000000638   -0.000000524   -0.000001797
     16        1           0.000000884    0.000001280    0.000000263
     17        1           0.000001889   -0.000001151   -0.000001990
     18        1          -0.000000504   -0.000002128    0.000000637
     19        1           0.000000871    0.000003104   -0.000000374
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000010850 RMS     0.000003613
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880603D+02  0.110729D+01 -0.236634D+01
      2   0.110729D+01  0.769830D+02  0.189495D+01
      3  -0.236634D+01  0.189495D+01  0.744314D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.555842D+00 -0.107631D+01  0.129231D+01
      2   0.596600D+01 -0.717518D+01  0.339992D+02
      3   0.566221D+01 -0.255832D+02  0.806717D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.713063D+02 -0.191724D+02  0.423915D+01
      2  -0.389358D+02  0.217651D+02 -0.109971D+02
      3  -0.323705D+02 -0.259278D+01  0.675798D+01
      4  -0.210326D+02  0.419116D+02 -0.189412D+02
      5   0.105926D+02 -0.217747D+02  0.651019D+02
      6  -0.552085D+01  0.546756D+00 -0.891900D+01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.400723D+00  0.301009D+01 -0.346021D+01  0.445211D+01 -0.355871D+01
      2   0.301009D+01 -0.285218D+01  0.116395D+00 -0.355871D+01 -0.322038D+01
      3  -0.346021D+01  0.116395D+00  0.824172D+00 -0.496736D-02 -0.208293D+01
                 6             7             8             9            10 
      1  -0.496736D-02 -0.455164D+01  0.383240D+00 -0.538796D+00  0.163642D+01
      2  -0.208293D+01  0.383240D+00 -0.207041D+01  0.229592D+00 -0.252139D+01
      3   0.583523D+00 -0.538796D+00  0.229592D+00  0.743930D+01  0.412185D+01
                11            12            13            14            15 
      1  -0.252139D+01  0.412185D+01 -0.621371D+01  0.281510D+01  0.177465D+00
      2   0.313867D+01  0.260309D+00  0.281510D+01  0.413630D+01  0.274160D+01
      3   0.260309D+00 -0.529974D+00  0.177465D+00  0.274160D+01  0.487533D+00
                16            17            18            19            20 
      1   0.568345D+01  0.163968D+00  0.108017D+00 -0.259973D+01  0.364174D+01
      2   0.163968D+00  0.272231D+01  0.116042D+01  0.364174D+01 -0.754564D+00
      3   0.108017D+00  0.116042D+01 -0.576414D+01 -0.240961D+01  0.829952D-01
                21            22            23            24            25 
      1  -0.240961D+01  0.634775D+01 -0.426930D+00  0.704213D-01 -0.234153D+01
      2   0.829952D-01 -0.426930D+00 -0.152164D+01 -0.124220D+01  0.163595D+00
      3  -0.538975D+00  0.704213D-01 -0.124220D+01  0.117746D+01 -0.812322D+00
                26            27            28            29            30 
      1   0.163595D+00 -0.812322D+00 -0.159449D+01 -0.162645D+01  0.130154D+01
      2  -0.145803D+01  0.987100D-01 -0.162645D+01  0.503062D+00  0.164704D+01
      3   0.987100D-01  0.614337D+01  0.130154D+01  0.164704D+01  0.366882D+00
                31            32            33            34            35 
      1   0.217640D+01  0.124623D+01  0.161490D+01  0.155089D+01  0.226240D+01
      2   0.124623D+01  0.299616D+01  0.169309D+01  0.226240D+01  0.224503D+01
      3   0.161490D+01  0.169309D+01  0.827715D+00  0.594425D+00  0.988475D-01
                36            37            38            39            40 
      1   0.594425D+00  0.463135D+01  0.306097D+01 -0.849194D+00  0.481090D+01
      2   0.988475D-01  0.306097D+01  0.203457D+00 -0.807968D+00 -0.801622D+00
      3  -0.103830D-01 -0.849194D+00 -0.807968D+00  0.681271D+00 -0.163462D+01
                41            42            43            44            45 
      1  -0.801622D+00 -0.163462D+01  0.190639D+00 -0.127595D+01 -0.679761D+00
      2   0.310750D+01  0.802161D+00 -0.127595D+01  0.377964D+00  0.133361D+01
      3   0.802161D+00  0.156978D+01 -0.679761D+00  0.133361D+01  0.272897D+01
                46            47            48            49            50 
      1   0.149631D+01  0.343521D+01 -0.441760D+01  0.358669D+01 -0.321115D+01
      2   0.343521D+01 -0.304735D+01  0.102604D+00 -0.321115D+01 -0.194669D+01
      3  -0.441760D+01  0.102604D+00  0.468640D+00  0.781728D-01 -0.364722D+01
                51            52            53            54            55 
      1   0.781728D-01 -0.345995D+01 -0.111580D+00  0.311343D+00  0.280992D+01
      2  -0.364722D+01 -0.111580D+00 -0.285680D+01 -0.670172D+00 -0.172073D+01
      3   0.120034D+00  0.311343D+00 -0.670172D+00  0.403547D+01  0.113796D+01
                56            57            58            59            60 
      1  -0.172073D+01  0.113796D+01 -0.103867D+01  0.320238D+01 -0.745256D+00
      2   0.385057D+01 -0.743845D+00  0.320238D+01  0.270073D+01  0.116281D+01
      3  -0.743845D+00  0.205054D+01 -0.745256D+00  0.116281D+01 -0.994507D+00
                61            62            63            64            65 
      1   0.145164D+01 -0.952817D+00  0.224095D+01 -0.319828D+01 -0.300558D+01
      2  -0.952817D+00  0.135563D+01 -0.656035D+00 -0.300558D+01 -0.243261D+01
      3   0.224095D+01 -0.656035D+00 -0.354701D+01 -0.189048D+01 -0.133587D+01
                66            67            68            69            70 
      1  -0.189048D+01 -0.567614D+01 -0.308750D+01 -0.110795D+01 -0.275885D+01
      2  -0.133587D+01 -0.308750D+01 -0.928464D+01 -0.273845D+01 -0.134093D+01
      3  -0.119790D+01 -0.110795D+01 -0.273845D+01 -0.273971D+01 -0.182526D+01
                71            72            73            74            75 
      1  -0.134093D+01 -0.182526D+01  0.572492D+00 -0.389899D+00 -0.850500D+00
      2  -0.256731D+01 -0.286033D+01 -0.389899D+00  0.245445D+00 -0.112653D+00
      3  -0.286033D+01 -0.376704D+01 -0.850500D+00 -0.112653D+00  0.327296D+00
                76            77            78            79            80 
      1  -0.108327D+01  0.164675D+00 -0.191513D-02 -0.150181D+01 -0.106670D+00
      2   0.164675D+00  0.549702D+00 -0.103671D+01 -0.106670D+00 -0.140282D+01
      3  -0.191513D-02 -0.103671D+01 -0.403960D-01  0.178471D+00  0.478055D+00
                81            82            83            84            85 
      1   0.178471D+00 -0.118639D+01 -0.727106D+00 -0.950508D+00 -0.108576D+01
      2   0.478055D+00 -0.727106D+00 -0.979981D+00 -0.257726D-01 -0.873848D+00
      3  -0.841228D+01 -0.950508D+00 -0.257726D-01 -0.249821D+00 -0.836724D-01
                86            87            88            89            90 
      1  -0.873848D+00 -0.836724D-01 -0.139588D+01 -0.100399D+00 -0.103865D+00
      2  -0.676485D+01 -0.163915D+01 -0.100399D+00 -0.166755D+01 -0.148538D+01
      3  -0.163915D+01 -0.179873D+01 -0.103865D+00 -0.148538D+01 -0.554262D+00
                91            92            93            94            95 
      1  -0.876315D+01 -0.993358D+00  0.256596D+01 -0.380886D+01 -0.146115D+01
      2  -0.993358D+00 -0.138390D+01  0.160522D+00 -0.146115D+01 -0.682991D+00
      3   0.256596D+01  0.160522D+00 -0.179910D+01  0.130753D+01  0.522501D+00
                96            97            98            99           100 
      1   0.130753D+01  0.169880D+01  0.285334D+00 -0.136872D+01 -0.170479D+01
      2   0.522501D+00  0.285334D+00  0.474804D+00 -0.106657D+00  0.248104D+01
      3  -0.854046D+00 -0.136872D+01 -0.106657D+00  0.127551D+01 -0.104774D+01
               101           102           103           104           105 
      1   0.248104D+01 -0.104774D+01  0.231491D+01 -0.271886D+01  0.949293D+00
      2  -0.319762D+01  0.113754D+01 -0.271886D+01  0.506784D+01 -0.146112D+01
      3   0.113754D+01 -0.107066D+01  0.949293D+00 -0.146112D+01  0.126732D+01
               106           107           108           109           110 
      1  -0.177414D+01  0.147368D+01 -0.118862D+01 -0.790156D-01  0.510525D+00
      2   0.147368D+01 -0.255644D+01  0.159787D+01  0.510525D+00 -0.162443D+00
      3  -0.118862D+01  0.159787D+01 -0.144703D+01  0.223726D+00 -0.341938D+00
               111           112           113           114           115 
      1   0.223726D+00  0.374725D+00 -0.139657D+00 -0.367521D+00  0.103854D+01
      2  -0.341938D+00 -0.139657D+00  0.107711D+01  0.845880D+00 -0.517279D+00
      3  -0.678343D+00 -0.367521D+00  0.845880D+00  0.869835D+00 -0.745716D+00
               116           117           118           119           120 
      1  -0.517279D+00 -0.745716D+00  0.885151D+00  0.638848D+00  0.111586D+01
      2   0.214770D+01  0.139142D+01  0.638848D+00  0.127569D+01  0.535418D+00
      3   0.139142D+01  0.531073D+01  0.111586D+01  0.535418D+00  0.992995D+00
               121           122           123           124           125 
      1   0.134962D+01  0.115172D+01  0.866587D+00  0.940543D+00  0.421330D+00
      2   0.115172D+01  0.466161D+01  0.217485D+01  0.421330D+00  0.172561D+01
      3   0.866587D+00  0.217485D+01  0.310782D+01  0.543547D+00  0.151258D+01
               126           127           128           129           130 
      1   0.543547D+00 -0.541930D+01 -0.133949D+01  0.237917D+01 -0.129923D+01
      2   0.151258D+01 -0.133949D+01 -0.112330D+01  0.944781D+00 -0.630454D+00
      3   0.193199D+01  0.237917D+01  0.944781D+00 -0.331141D+01  0.592334D+00
               131           132           133           134           135 
      1  -0.630454D+00  0.592334D+00  0.176924D+01  0.558117D+00 -0.182966D+01
      2  -0.911904D+00  0.123602D+01  0.558117D+00  0.956906D+00 -0.709339D+00
      3   0.123602D+01 -0.109102D+01 -0.182966D+01 -0.709339D+00  0.234796D+01
               136           137           138           139           140 
      1   0.386556D+01 -0.257584D+01  0.238030D+01 -0.286282D+01  0.256440D+01
      2  -0.257584D+01  0.262438D+01 -0.137487D+01  0.256440D+01 -0.341884D+01
      3   0.238030D+01 -0.137487D+01  0.228930D+01 -0.139144D+01  0.227116D+01
               141           142           143           144           145 
      1  -0.139144D+01  0.141149D+01 -0.912338D+00  0.145294D+01  0.127377D+01
      2   0.227116D+01 -0.912338D+00  0.152829D+01 -0.136174D+01  0.125085D+01
      3  -0.224342D+01  0.145294D+01 -0.136174D+01  0.177807D+01  0.446942D+00
               146           147           148           149           150 
      1   0.125085D+01  0.446942D+00  0.294112D+01  0.220549D+01 -0.130647D+00
      2   0.161005D+01  0.638305D-01  0.220549D+01  0.572270D+01  0.619839D+00
      3   0.638305D-01  0.295297D+00 -0.130647D+00  0.619839D+00  0.133794D+01
               151           152           153           154           155 
      1   0.128206D+01  0.326408D+00  0.482507D+00  0.672207D+01 -0.287706D+01
      2   0.326408D+00  0.116576D+01  0.785788D+00 -0.287706D+01  0.225669D+01
      3   0.482507D+00  0.785788D+00 -0.117177D+00  0.909940D+00 -0.361079D+00
               156           157           158           159           160 
      1   0.909940D+00 -0.473480D+01  0.291089D+01 -0.261106D+00  0.280867D+01
      2  -0.361079D+00  0.291089D+01 -0.240391D+01  0.618767D+00 -0.751182D+00
      3   0.101854D+01 -0.261106D+00  0.618767D+00 -0.113392D+01  0.112332D+01
               161           162           163           164           165 
      1  -0.751182D+00  0.112332D+01  0.251371D+00 -0.252370D+00 -0.707408D+00
      2   0.996998D+00 -0.723759D+00 -0.252370D+00  0.225934D+00  0.525564D-01
      3  -0.723759D+00  0.206250D+00 -0.707408D+00  0.525564D-01  0.612423D-01
               166           167           168           169           170 
      1  -0.550979D+00  0.648997D+00  0.723947D-01 -0.204217D+01  0.310794D-01
      2   0.648997D+00  0.136207D+00 -0.840887D+00  0.310794D-01 -0.111763D+01
      3   0.723947D-01 -0.840887D+00 -0.453197D+00  0.205720D+01 -0.113473D+00
               171 
      1   0.205720D+01
      2  -0.113473D+00
      3  -0.957830D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284682D+01  0.231044D+01  0.205011D+00  0.335106D+01  0.228203D+01
      2  -0.929298D+01  0.290931D+01  0.539725D+00  0.386431D+01 -0.862153D+01
      3  -0.813880D+01  0.572959D+01  0.608205D+00  0.131186D+02  0.108687D+02
                 6             7             8             9            10 
      1  -0.359374D+00  0.718120D+00  0.311552D+01 -0.434137D+00  0.353322D+01
      2   0.125461D+01 -0.896174D+01  0.884127D+00  0.214049D+02  0.796367D+01
      3   0.489708D+01 -0.108863D+01  0.594291D+01 -0.124953D+01  0.367816D+01
                11            12            13            14            15 
      1  -0.424206D+00 -0.641392D-01 -0.729347D+00  0.319910D+01 -0.418246D+01
      2  -0.808384D+00  0.413198D+01 -0.419415D+01  0.354710D+01  0.140561D+00
      3  -0.384208D+01 -0.138051D+01  0.153685D+01 -0.915045D+01 -0.423925D+01
                16            17            18            19            20 
      1  -0.498822D+00  0.223801D+01 -0.315195D+01 -0.407864D+01  0.376267D+00
      2  -0.229199D+01  0.130901D+01 -0.607462D+01 -0.777047D-01  0.865026D+00
      3  -0.825884D+00 -0.346114D+01 -0.207851D+00  0.716629D-01 -0.431758D+01
                21            22            23            24            25 
      1  -0.116791D+01 -0.114194D+01  0.127481D+01  0.247167D+01 -0.224758D+00
      2   0.198288D+00  0.695694D+01 -0.505722D+00  0.122813D+01 -0.661182D+01
      3   0.139889D+01  0.873463D+00  0.742141D-02  0.290813D+01 -0.113100D+01
                26            27            28            29            30 
      1   0.537195D+01 -0.185991D+01  0.101160D+01  0.467008D+00  0.211698D+01
      2  -0.346913D+00 -0.251319D+01 -0.980549D+01 -0.795000D+00 -0.266802D+01
      3   0.132242D+01  0.176001D-01 -0.584859D+01  0.174276D+01 -0.158774D+01
                31            32            33            34            35 
      1   0.250924D+01 -0.646827D+01  0.800757D+00 -0.232688D+01  0.207573D+01
      2   0.894349D+01 -0.732980D+00 -0.492080D+01 -0.119823D+02 -0.299883D+01
      3   0.528988D+01  0.101681D+02 -0.236245D+00 -0.574444D+01 -0.247134D+01
                36            37            38            39            40 
      1   0.811946D+01  0.849630D+00 -0.645719D-01  0.154099D+01  0.190411D+01
      2   0.400412D+01  0.132798D+01  0.876290D-01  0.196053D+01 -0.641493D+00
      3   0.180667D+01  0.579569D+01 -0.144568D+01 -0.936781D+00  0.435608D+01
                41            42            43            44            45 
      1   0.267074D+01 -0.269662D+01  0.104250D+01  0.349210D+01 -0.168792D+01
      2  -0.350838D+01 -0.325423D+01 -0.115049D+01 -0.294531D+01 -0.736952D+01
      3   0.896318D+01  0.150213D+01  0.223926D+01  0.244916D+01  0.201916D+01
                46            47            48            49            50 
      1   0.345803D+01 -0.589995D+01  0.779056D+00 -0.598416D+01 -0.612566D+01
      2  -0.101967D+02 -0.675987D+01  0.125731D+02 -0.505219D+01  0.737256D+00
      3  -0.612439D+01 -0.190570D+00  0.267402D+01  0.381492D+01  0.504388D+01
                51            52            53            54            55 
      1  -0.109446D+02 -0.341707D-01 -0.463375D+01  0.285514D+01 -0.168258D+01
      2  -0.310530D+00  0.562478D+01 -0.551819D+00  0.371638D+01  0.946414D+00
      3   0.466271D+01  0.245319D+01  0.368388D+01  0.503597D+00  0.728123D+01
                56            57            58            59            60 
      1   0.115964D+01 -0.583396D+01  0.120068D+01 -0.500804D+01 -0.347488D+01
      2   0.129316D+01  0.446989D+01 -0.148035D+01  0.191829D+00  0.205006D+00
      3  -0.107614D+02  0.155326D+01  0.334926D+01  0.769742D+01 -0.307654D+01
                61            62            63            64            65 
      1  -0.436401D+01  0.667303D+01  0.903219D+01  0.163607D+01  0.251786D+01
      2  -0.875440D+00  0.274969D+00 -0.574397D+00  0.907689D+00  0.529671D+00
      3   0.308640D+01 -0.217114D+01  0.557210D+01  0.125043D+01 -0.532591D+01
                66            67            68            69            70 
      1  -0.327732D+01  0.295284D+00  0.513867D+01 -0.726527D+01  0.926785D+00
      2   0.569214D+01 -0.834862D+01  0.243929D+01  0.612493D+01 -0.375198D-01
      3  -0.933498D+00  0.425426D+01 -0.157397D+02 -0.319019D+01  0.104362D+01
                71            72            73            74            75 
      1   0.359350D+01 -0.317085D+01  0.754305D+00 -0.331272D+00  0.269764D-01
      2   0.554282D+01  0.424387D+01  0.103124D+01 -0.282472D+00  0.213684D+00
      3  -0.214244D+01 -0.456079D+01  0.101178D+01 -0.435383D+00 -0.697810D+00
                76            77            78            79            80 
      1  -0.143559D-02 -0.644208D+00 -0.281160D+00  0.786163D-01  0.356102D+01
      2  -0.847129D+00  0.460468D+00 -0.296240D-01 -0.387998D+01  0.663345D-01
      3   0.126119D+01  0.995657D-01 -0.524981D+00 -0.388821D+00 -0.420194D+00
                81            82            83            84            85 
      1   0.180902D+01 -0.133622D+01  0.165208D+00 -0.569358D+00 -0.160494D+00
      2   0.859601D+00 -0.205551D+01 -0.295776D+00  0.486781D-01 -0.901618D+00
      3   0.277329D-01  0.325989D+01  0.976882D+00  0.988414D+00  0.541702D+01
                86            87            88            89            90 
      1   0.168605D+00 -0.368878D+01 -0.224391D+00  0.386005D+00 -0.485993D+00
      2  -0.180753D+01 -0.169781D+01 -0.222450D+01 -0.162452D+01 -0.604436D+00
      3   0.823017D+01  0.221369D+01  0.212023D+01  0.202118D+01  0.192770D+01
                91            92            93            94            95 
      1  -0.173026D+01 -0.144317D+01  0.248732D+00 -0.686291D+00 -0.110067D+01
      2  -0.115141D+01  0.468811D+00  0.441654D+01 -0.130195D+01 -0.412640D+00
      3  -0.447433D+01 -0.499640D+01  0.131893D+01 -0.274955D+01 -0.333173D+01
                96            97            98            99           100 
      1  -0.304535D+00  0.887434D+00  0.558580D+00 -0.470822D+00  0.141599D+01
      2   0.242689D+01  0.891239D+00  0.412728D+00 -0.185357D+01 -0.122408D+01
      3   0.859252D+00  0.177262D+01  0.157014D+01 -0.877002D+00 -0.544438D+01
               101           102           103           104           105 
      1  -0.178968D+01  0.335378D+01 -0.161216D+01  0.144162D+01 -0.343070D+01
      2   0.533789D+00  0.572006D+00  0.799970D+00 -0.605464D+00 -0.438178D+00
      3   0.439070D+01 -0.251271D+01  0.777674D+01 -0.599077D+01  0.284565D+01
               106           107           108           109           110 
      1   0.209106D+01 -0.148571D+01  0.241602D+01 -0.651040D+00  0.886631D+00
      2  -0.154189D+01  0.274247D+00 -0.308805D-01  0.725339D+00  0.197209D+00
      3  -0.471342D+01  0.352159D+01 -0.306212D+01 -0.482725D+00  0.106788D+00
               111           112           113           114           115 
      1   0.187541D+01  0.111295D+01 -0.211991D+01 -0.229967D+01  0.173298D+01
      2  -0.349199D+00  0.138447D+00 -0.120969D+00  0.394908D+00 -0.274350D+01
      3   0.675838D+00  0.963891D+00 -0.582474D+00 -0.105173D+01  0.303796D+01
               116           117           118           119           120 
      1  -0.145063D+01 -0.142867D+02  0.176433D+01  0.283939D+01  0.111432D+01
      2   0.437121D+00  0.892443D+00  0.203348D+00 -0.376795D+00  0.623552D+00
      3  -0.111751D+01 -0.236870D+01 -0.554834D+00 -0.266091D+01 -0.115876D+01
               121           122           123           124           125 
      1   0.216541D+01  0.125195D+02  0.334723D+01  0.137495D+01  0.564677D+01
      2  -0.250225D+01  0.104067D+01  0.328288D+01 -0.222341D+01  0.103405D+01
      3   0.207730D+00 -0.773111D+01 -0.272888D+01 -0.501747D+00 -0.233150D+01
               126           127           128           129           130 
      1   0.347218D+01 -0.549810D+00 -0.245042D+01 -0.146392D+01 -0.877885D+00
      2   0.149668D+01  0.161887D+02  0.342386D+01 -0.545562D+01  0.329167D+01
      3  -0.221928D+01  0.646350D+01  0.262855D+00 -0.237288D+01  0.280254D+01
               131           132           133           134           135 
      1  -0.504824D+00  0.391655D+00 -0.355609D+00  0.253145D+01  0.487825D+00
      2   0.240215D+01 -0.170143D+01 -0.729136D+01 -0.195004D+01  0.500933D+01
      3   0.933516D+00 -0.165084D+01 -0.201731D+01 -0.558273D+00  0.205728D+01
               136           137           138           139           140 
      1  -0.277049D+01  0.469606D+01  0.424353D+00  0.344007D+01 -0.461812D+01
      2  -0.402205D+01  0.255039D+01  0.145922D+01  0.406681D+01 -0.127193D+01
      3  -0.103040D+00 -0.333856D+01  0.426675D+00  0.497325D+00  0.341835D+01
               141           142           143           144           145 
      1   0.231729D+00 -0.824908D+00  0.295462D+01 -0.680263D+00 -0.102636D+01
      2  -0.162349D+01 -0.266473D+01  0.115839D+00  0.286932D+00  0.230913D+01
      3  -0.203186D+01 -0.522353D+00 -0.188842D+01  0.730563D+00 -0.423890D+01
               146           147           148           149           150 
      1  -0.138360D+01 -0.699224D+00 -0.142034D+01 -0.430398D+01 -0.283464D+01
      2   0.112335D+01  0.188654D+01  0.132465D+01  0.409124D+01  0.468305D+01
      3  -0.490937D+01 -0.105565D+00 -0.271292D+01 -0.185578D+02 -0.229025D+01
               151           152           153           154           155 
      1  -0.385812D+00  0.311627D-01 -0.811638D+00  0.220312D+01 -0.148212D+01
      2   0.649237D+00  0.230663D+01  0.391617D+00  0.719325D+01 -0.352654D+01
      3  -0.197317D+00 -0.391569D+01 -0.201655D+01  0.527910D+01 -0.821477D+01
               156           157           158           159           160 
      1   0.145610D+01 -0.181113D+01  0.154885D+01 -0.233573D+01  0.714628D+00
      2   0.598349D+01 -0.374909D+01  0.395956D+01 -0.472825D+01  0.361342D+01
      3   0.104815D+01 -0.541672D+01  0.693670D+01 -0.185357D+01  0.107968D+01
               161           162           163           164           165 
      1  -0.135399D+00  0.956324D+00  0.459224D-01 -0.149517D+00 -0.658735D-01
      2  -0.250979D+01  0.204373D+01 -0.215469D+01 -0.189748D+00  0.923274D+00
      3  -0.338797D+01  0.177310D+01  0.764350D+00 -0.126565D+01  0.458372D-01
               166           167           168           169           170 
      1  -0.369791D+00 -0.297841D+00 -0.364411D+00  0.226513D+00  0.397069D+01
      2  -0.367439D+00 -0.128243D+01 -0.103663D+01 -0.331512D+00 -0.284098D+00
      3  -0.607015D+00 -0.729520D+00  0.179917D+01  0.297976D+00  0.335434D+01
               171 
      1  -0.115997D+01
      2  -0.241424D+02
      3   0.126311D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.473015D+00  0.175994D+02 -0.194750D+02  0.215478D+02 -0.219827D+02
      2  -0.603917D+01 -0.718614D+01  0.862994D+01 -0.104423D+02  0.584661D+01
      3   0.556616D+01 -0.104132D+02  0.108450D+02 -0.111055D+02  0.161361D+02
      4   0.210494D+02 -0.178943D+02  0.240286D+01 -0.260809D+02 -0.154548D+02
      5  -0.200222D+02 -0.893439D+00  0.537404D+01 -0.201416D+01 -0.897252D+01
      6  -0.798623D+00  0.212025D+01 -0.259374D+00  0.171104D+01  0.399421D+01
                 6             7             8             9            10 
      1   0.507197D+00 -0.232110D+02  0.256973D+01  0.105506D+02 -0.110023D+02
      2   0.557676D+00  0.742695D+01 -0.528083D+00  0.982633D+01  0.173226D+01
      3  -0.106487D+01  0.157841D+02 -0.204164D+01 -0.203770D+02  0.927006D+01
      4  -0.104087D+02  0.471658D+01 -0.121982D+02  0.316855D+01 -0.773526D+01
      5   0.163041D+01  0.103028D+01  0.181711D+01  0.328345D+02  0.135326D+02
      6   0.174710D+01  0.659010D+00  0.167089D+01 -0.522447D+01 -0.492987D+01
                11            12            13            14            15 
      1  -0.556380D+01  0.121518D+02 -0.734347D+01  0.146733D+02  0.384373D+01
      2   0.161246D+01 -0.844716D+01  0.322269D+01 -0.177569D+02 -0.705979D+01
      3   0.395134D+01 -0.370465D+01  0.412078D+01  0.308356D+01  0.321606D+01
      4   0.644851D+01 -0.218807D+01  0.164697D+02  0.602650D+01  0.545904D+01
      5   0.117662D+01 -0.157975D+01  0.331018D+01  0.550597D+01  0.157291D+01
      6   0.274021D+00  0.315531D+00  0.902934D+00 -0.821681D+01  0.262141D+01
                16            17            18            19            20 
      1   0.167207D+02  0.270821D+01  0.512886D+01 -0.136054D+02 -0.244710D+01
      2  -0.790265D+01 -0.326743D+01 -0.149188D+00  0.175303D+02  0.257928D+01
      3  -0.881806D+01  0.559224D+00 -0.497968D+01 -0.392492D+01 -0.132186D+00
      4  -0.234225D+01  0.524288D+01  0.168916D+01  0.549436D+01  0.335160D+01
      5  -0.169793D+01  0.262331D+01 -0.149108D+02  0.360117D+01 -0.342538D+00
      6  -0.379037D+00 -0.273786D+01  0.306053D+01  0.353829D+01 -0.833687D+00
                21            22            23            24            25 
      1   0.151828D+01 -0.564975D+00  0.145903D+01  0.356611D+01 -0.746193D+01
      2   0.346674D+00 -0.761647D+00 -0.660425D+01 -0.235126D+01  0.162353D+01
      3  -0.186495D+01  0.132662D+01  0.514522D+01 -0.121485D+01  0.583840D+01
      4   0.215511D+01 -0.123664D+02  0.109188D+01  0.288933D+00 -0.667274D+00
      5   0.570395D+00  0.239260D+01  0.877880D+00  0.466172D+00  0.133773D+01
      6   0.450047D+00  0.127741D+00  0.180060D+01 -0.459598D+01 -0.144591D+01
                26            27            28            29            30 
      1   0.259883D+01  0.102073D+02  0.624115D+01  0.105742D+02 -0.200839D+01
      2  -0.653500D+01  0.123094D+02 -0.955077D+01 -0.986584D+01 -0.266655D+01
      3   0.393617D+01 -0.225168D+02  0.330962D+01 -0.708332D+00  0.467494D+01
      4  -0.280700D+01 -0.387742D+00  0.353044D-01 -0.105747D+02 -0.796654D+01
      5  -0.183091D+01  0.222164D+01 -0.406615D+01 -0.851561D+01 -0.964785D+01
      6   0.145065D+01  0.416156D+01 -0.648379D+01 -0.184682D+01 -0.361868D+01
                31            32            33            34            35 
      1  -0.176547D+01  0.494804D+01  0.528181D+00 -0.509443D+01 -0.565873D+01
      2  -0.339853D+01 -0.135055D+02  0.604502D+01  0.913698D+00 -0.155157D+01
      3   0.516400D+01  0.855742D+01 -0.657320D+01  0.418073D+01  0.721030D+01
      4  -0.175433D+02 -0.209438D+02 -0.491862D+01 -0.158739D+02 -0.178888D+01
      5  -0.165348D+02 -0.727226D+01 -0.102299D+02 -0.463537D+01 -0.351036D+01
      6  -0.235545D+01 -0.920574D+01 -0.600544D+01 -0.182902D+00 -0.116750D+00
                36            37            38            39            40 
      1  -0.277390D+01 -0.158137D+02 -0.147153D+02  0.531974D+01 -0.233307D+02
      2   0.177998D-01  0.105152D+02  0.722580D+01 -0.176106D+00  0.127050D+02
      3   0.275610D+01  0.529853D+01  0.748947D+01 -0.514363D+01  0.106258D+02
      4  -0.277346D+01 -0.188520D+02  0.763197D+01  0.589159D+01  0.101018D+02
      5   0.363830D+01  0.670661D+01  0.589285D+01  0.418275D+01  0.119166D+02
      6  -0.731382D+01  0.521845D+01 -0.262034D+00 -0.350860D+01 -0.113135D+01
                41            42            43            44            45 
      1  -0.231108D+01  0.416468D+01  0.427729D+01  0.226213D+01 -0.388138D+01
      2   0.650895D+01 -0.484661D+01 -0.178972D+01 -0.145954D+01 -0.700397D+01
      3  -0.419787D+01  0.681932D+00 -0.248757D+01 -0.802598D+00  0.108854D+02
      4  -0.146773D+02 -0.484781D+01  0.833646D+01 -0.511317D+01 -0.721127D+01
      5  -0.289004D+01 -0.832440D+01  0.858606D+01 -0.662833D+01 -0.147913D+02
      6   0.393077D+01  0.600218D+01 -0.348685D+01  0.515368D+01  0.344703D+01
                46            47            48            49            50 
      1   0.126696D+02  0.806532D+01 -0.110464D+02  0.706820D+01 -0.364252D+01
      2  -0.228832D+01 -0.838755D-01  0.379334D+01 -0.168808D+00  0.100116D+02
      3  -0.103813D+02 -0.798144D+01  0.725301D+01 -0.689939D+01 -0.636912D+01
      4   0.645144D+01 -0.145263D+02  0.830582D+01 -0.158615D+02 -0.101126D+01
      5  -0.491726D+01  0.105047D+02 -0.115613D+02  0.888816D+01 -0.189995D+02
      6   0.161666D+02 -0.105928D+02 -0.135872D+01 -0.120628D+02 -0.377804D+01
                51            52            53            54            55 
      1   0.164949D+01 -0.934082D+01 -0.201126D-01 -0.903752D+01  0.121912D+02
      2   0.412651D+01  0.255238D+01  0.416404D+01 -0.666030D+01 -0.119505D+02
      3  -0.577599D+01  0.678844D+01 -0.414392D+01  0.156978D+02 -0.240766D+00
      4  -0.123495D+02  0.639315D+01 -0.854360D+01 -0.159703D+01  0.553088D+01
      5  -0.924343D+00 -0.115334D+02 -0.246952D+01  0.110730D+02 -0.229245D+01
      6  -0.141008D+02 -0.730568D+00 -0.102228D+02 -0.299213D+01  0.444005D+01
                56            57            58            59            60 
      1  -0.987459D+01  0.582848D+00 -0.850342D+01 -0.121230D+02 -0.342210D+01
      2   0.159182D+02 -0.315764D+01  0.154206D+02  0.208923D+02  0.596214D+01
      3  -0.604357D+01  0.257479D+01 -0.691714D+01 -0.876928D+01 -0.254004D+01
      4  -0.560642D+01  0.337272D+01  0.332028D+01  0.144393D+02 -0.391839D+01
      5   0.244232D+01  0.195543D+01  0.469084D+00 -0.307791D+01  0.147973D+01
      6  -0.575095D+01  0.890007D+01 -0.594992D+01  0.513955D+01  0.211078D+01
                61            62            63            64            65 
      1   0.326267D+01 -0.117693D+01  0.198387D+01  0.162663D+02  0.661898D+01
      2  -0.362910D+01  0.641391D+01 -0.447872D+01 -0.551734D+01  0.127230D+01
      3   0.366428D+00 -0.523698D+01  0.249484D+01 -0.107490D+02 -0.789128D+01
      4   0.444954D+01 -0.254018D+01  0.863751D+01  0.182415D+02  0.200909D+02
      5   0.340406D+01  0.345159D+01 -0.106202D+01  0.127741D+02  0.890538D+01
      6   0.994652D+01 -0.103127D+01 -0.127073D+02  0.576018D+01  0.438734D+01
                66            67            68            69            70 
      1   0.349843D+01  0.958454D+01 -0.131712D+02 -0.508806D+01  0.658395D+01
      2  -0.329954D+01  0.720212D+00  0.303007D+02  0.185429D+01 -0.358588D+01
      3  -0.198887D+00 -0.103048D+02 -0.171294D+02  0.323378D+01 -0.299807D+01
      4   0.787177D+01  0.271370D+02  0.406814D+02  0.106686D+02  0.927975D+01
      5   0.146139D+02  0.110038D+02  0.136170D+02  0.149450D+02  0.151055D+02
      6   0.568914D+01  0.632879D+01  0.146494D+02  0.149744D+02  0.620100D+01
                71            72            73            74            75 
      1  -0.258386D+01 -0.509662D+01  0.133620D+01 -0.189188D+00 -0.319575D+00
      2   0.180931D+01 -0.298006D+01 -0.474718D+01  0.401929D+00  0.503030D+00
      3   0.774549D+00  0.807668D+01  0.341098D+01 -0.212741D+00 -0.183455D+00
      4   0.878020D+01  0.121955D+02 -0.686152D+00  0.130458D+01 -0.120716D+01
      5   0.131319D+02  0.167759D+02 -0.133511D+01 -0.520939D+00  0.604616D+01
      6   0.134891D+02  0.114547D+02 -0.132127D+01  0.150595D+00  0.359316D+00
                76            77            78            79            80 
      1   0.872158D+00 -0.400745D+01  0.172818D+00  0.123986D+01  0.272149D+01
      2   0.478061D+00  0.795368D+00 -0.114467D+01  0.763949D+00 -0.124821D+01
      3  -0.135022D+01  0.321209D+01  0.971848D+00 -0.200381D+01 -0.147328D+01
      4   0.274023D+01 -0.304313D+00 -0.117729D+00  0.334602D-01  0.650068D+00
      5  -0.108129D-01 -0.505654D+00 -0.413552D+00  0.553121D+01  0.560408D+00
      6   0.125415D+00 -0.103907D+01  0.681205D+01  0.168202D+00  0.524966D+01
                81            82            83            84            85 
      1  -0.196850D+02  0.554194D-02 -0.253923D+01 -0.219623D+01 -0.417329D+01
      2  -0.165292D+02  0.314203D+01  0.300926D+01  0.184348D+01  0.412668D+01
      3   0.362143D+02 -0.314758D+01 -0.470032D+00  0.352758D+00  0.466093D-01
      4  -0.322730D+00  0.239960D+00  0.348959D+01  0.105376D+01  0.253787D+01
      5  -0.369627D+00 -0.157134D+01  0.693917D+00  0.125156D+01  0.946854D+00
      6  -0.687238D+01  0.189715D+01  0.927820D+00  0.675202D+00  0.742428D+00
                86            87            88            89            90 
      1  -0.175676D+02 -0.283113D+01 -0.359950D+01 -0.416958D+01 -0.517211D+01
      2   0.281923D+02  0.588332D+01  0.209665D+01  0.446821D+01  0.294768D+01
      3  -0.106247D+02 -0.305219D+01  0.150285D+01 -0.298635D+00  0.222443D+01
      4  -0.107865D+02 -0.292067D+01  0.346565D+00 -0.298558D+01 -0.210059D+01
      5  -0.296926D+01 -0.389175D+01  0.235599D+01 -0.250631D+01 -0.441601D+00
      6   0.879716D+01  0.671613D+01  0.114685D+01  0.825860D+01  0.463767D+01
                91            92            93            94            95 
      1   0.476085D+02  0.581211D+01 -0.119648D+02  0.183963D+02  0.625043D+01
      2  -0.271433D+02 -0.371233D+01  0.809284D+01 -0.101771D+02 -0.288464D+01
      3  -0.204652D+02 -0.209978D+01  0.387196D+01 -0.821917D+01 -0.336579D+01
      4   0.508732D+01  0.632159D+01 -0.133214D+01  0.981517D+01  0.448869D+01
      5  -0.181442D+02 -0.179767D+01  0.106601D+02 -0.839753D+01 -0.370848D+01
      6  -0.293019D+01 -0.100216D+01  0.118338D+01 -0.356224D+01 -0.195747D+01
                96            97            98            99           100 
      1  -0.544000D+01 -0.531866D+01 -0.466257D+00  0.545879D+01 -0.256868D+01
      2   0.362125D+01  0.481632D+01  0.659601D+00 -0.504397D+01  0.833648D+01
      3   0.181874D+01  0.502342D+00 -0.193344D+00 -0.414818D+00 -0.576780D+01
      4  -0.334690D+01 -0.828998D+00 -0.170217D+01  0.810350D+00 -0.866314D+01
      5   0.500102D+01  0.101238D+02  0.140161D+01 -0.691546D+01  0.303282D+01
      6   0.220464D+01  0.774948D+00  0.131211D+01 -0.933262D+00 -0.598454D+01
               101           102           103           104           105 
      1   0.788589D+01 -0.249635D+01  0.655696D+01 -0.133711D+02  0.406429D+01
      2  -0.151242D+02  0.415690D+01 -0.122718D+02  0.245753D+02 -0.673805D+01
      3   0.723833D+01 -0.166055D+01  0.571479D+01 -0.112042D+02  0.267375D+01
      4   0.135306D+02 -0.500498D+01  0.121382D+02 -0.129249D+02  0.461910D+01
      5  -0.296300D+01  0.332552D+01 -0.173366D+01  0.302673D+01 -0.163090D+01
      6   0.790775D+01 -0.632024D+01  0.628667D+01 -0.100400D+02  0.746541D+01
               106           107           108           109           110 
      1  -0.406178D+01  0.622980D+01 -0.527992D+01 -0.122899D+01  0.133518D+01
      2   0.526001D+01 -0.877660D+01  0.481333D+01  0.162132D+01 -0.133630D+01
      3  -0.119824D+01  0.254680D+01  0.466594D+00 -0.392327D+00  0.112388D-02
      4  -0.644939D+01  0.625785D+01 -0.517587D+01  0.509024D+00  0.338240D+01
      5   0.336607D+01 -0.266937D+01  0.259073D+01 -0.102751D+01 -0.408244D+00
      6  -0.651696D+01  0.101881D+02 -0.740827D+01  0.378907D+00 -0.201306D+01
               111           112           113           114           115 
      1   0.159127D+01  0.106426D+01 -0.342185D+01 -0.259652D+01  0.108190D+01
      2  -0.966492D+00 -0.924794D+00  0.467709D+01  0.295466D+01 -0.132688D+01
      3  -0.624774D+00 -0.139463D+00 -0.125524D+01 -0.358139D+00  0.244986D+00
      4   0.532217D+00  0.308770D+01 -0.837231D+00 -0.125303D+01  0.359892D+01
      5   0.185774D+01  0.157118D-01 -0.335754D+00 -0.303758D+00  0.131147D+01
      6  -0.316357D+01 -0.147978D+01  0.298305D+01  0.649096D+01 -0.374366D+01
               116           117           118           119           120 
      1  -0.609454D+01 -0.777885D+01  0.218825D+01  0.185927D+01  0.160574D+01
      2   0.761164D+01  0.134086D+01 -0.310165D+01 -0.263447D+01 -0.360037D+01
      3  -0.151710D+01  0.643799D+01  0.913393D+00  0.775207D+00  0.199462D+01
      4  -0.186439D+01 -0.352646D+01  0.331247D+01  0.651158D+01  0.149959D+01
      5  -0.123311D+01 -0.106995D+01  0.589780D+01  0.380005D+01  0.787537D+01
      6   0.751886D+01  0.204989D+02  0.179667D+01  0.502989D+01  0.231642D+01
               121           122           123           124           125 
      1   0.361269D+01 -0.304726D+01 -0.513152D+01  0.111185D+01 -0.281114D+01
      2  -0.438928D+01 -0.136800D+01 -0.713269D+01 -0.262098D+01 -0.429148D+01
      3   0.776591D+00  0.441526D+01  0.122642D+02  0.150913D+01  0.710262D+01
      4   0.626517D+01  0.124012D+02  0.706778D+01  0.839636D+00  0.478316D+01
      5   0.731537D+01  0.104241D+02  0.111516D+02  0.618504D+01  0.575950D+01
      6   0.530959D+01  0.173474D+02  0.107314D+02  0.227852D+01  0.999170D+01
               126           127           128           129           130 
      1  -0.446766D+01 -0.937663D+01 -0.593242D+01  0.131377D+02 -0.467737D+01
      2  -0.506683D+01  0.830177D+00  0.274355D+01  0.211399D+01  0.243432D+01
      3   0.953449D+01  0.854645D+01  0.318886D+01 -0.152516D+02  0.224305D+01
      4   0.434665D+01  0.596011D+01  0.349406D+01 -0.315428D+01  0.439568D+01
      5   0.706428D+01 -0.134669D+02 -0.369058D+01  0.587809D+01 -0.378671D+01
      6   0.700462D+01 -0.731670D+01 -0.612888D+01  0.748929D+01 -0.350914D+01
               131           132           133           134           135 
      1  -0.473312D+01  0.448427D+01  0.879701D+01  0.389618D+01 -0.103054D+02
      2   0.237043D+01 -0.118652D+01  0.126889D+01 -0.989732D+00 -0.343724D+01
      3   0.236269D+01 -0.329774D+01 -0.100659D+02 -0.290645D+01  0.137427D+02
      4   0.139681D+01  0.502794D+00 -0.226120D+01 -0.429351D-02  0.225093D+01
      5   0.107359D+00  0.102854D+01  0.772556D+01  0.171814D+01 -0.474460D+01
      6  -0.460788D+01  0.708919D+01  0.480041D+01  0.621668D+01 -0.582355D+01
               136           137           138           139           140 
      1   0.117899D+02 -0.422458D+01  0.188198D+01 -0.535255D+01 -0.215180D+01
      2  -0.685558D+01 -0.281829D+00 -0.528485D+01  0.241805D+00  0.624616D+01
      3  -0.493437D+01  0.450641D+01  0.340287D+01  0.511074D+01 -0.409436D+01
      4  -0.161296D+02  0.149845D+02 -0.859630D+01  0.155699D+02 -0.166275D+02
      5   0.186688D+02 -0.119361D+02  0.158924D+02 -0.130394D+02  0.131760D+02
      6  -0.112566D+02  0.116700D+02 -0.868255D+01  0.107575D+02 -0.151863D+02
               141           142           143           144           145 
      1   0.303696D+01  0.145686D+01  0.208596D+01 -0.179817D+01  0.916392D+01
      2   0.697173D+00 -0.389070D+01  0.789790D+00 -0.392696D+01 -0.142600D+01
      3  -0.373414D+01  0.243384D+01 -0.287574D+01  0.572512D+01 -0.773792D+01
      4   0.960435D+01 -0.533201D+01  0.613239D+01 -0.697982D+01  0.717251D+01
      5  -0.109670D+02  0.117808D+02 -0.763708D+01  0.105129D+02  0.181177D+01
      6   0.131957D+02 -0.637343D+01  0.993326D+01 -0.867198D+01 -0.633837D+00
               146           147           148           149           150 
      1   0.662981D+01  0.292971D+01  0.158828D+02  0.879782D+01  0.299728D+00
      2  -0.156800D+01 -0.977389D+00 -0.570557D+01  0.524568D+01  0.164124D+01
      3  -0.506181D+01 -0.195232D+01 -0.101772D+02 -0.140435D+02 -0.194097D+01
      4   0.134722D+02  0.105209D+01  0.174838D+02  0.322893D+02  0.353051D+01
      5   0.158255D+00  0.235940D+01 -0.174230D+01  0.336679D+01  0.831378D+01
      6  -0.177139D+01  0.399786D+00 -0.140802D+01 -0.463006D+01  0.211935D+01
               151           152           153           154           155 
      1   0.758465D+01  0.141056D+01 -0.230981D+00  0.491479D+02 -0.177361D+02
      2  -0.296038D+01  0.542264D+00 -0.122682D+01 -0.205112D+02  0.552832D+01
      3  -0.462428D+01 -0.195282D+01  0.145780D+01 -0.286367D+02  0.122078D+02
      4   0.242259D+01  0.642235D+01  0.411737D+01 -0.243982D+02  0.187865D+02
      5   0.339930D+01  0.471810D+01 -0.107178D+00  0.198278D+01 -0.832595D+00
      6   0.102469D+01  0.231701D+01  0.119097D+01  0.177424D+01 -0.211293D+01
               156           157           158           159           160 
      1   0.653321D+01 -0.269751D+02  0.135577D+02 -0.206346D+01  0.159384D+02
      2  -0.214687D+01  0.924149D+01  0.136980D+00 -0.523941D+00 -0.647871D+01
      3  -0.438634D+01  0.177336D+02 -0.136947D+02  0.258740D+01 -0.945973D+01
      4  -0.294313D+01  0.237965D+02 -0.187094D+02  0.399238D+01 -0.722857D+01
      5   0.825666D+01  0.228564D+00  0.229230D+01 -0.728762D+01  0.800736D+01
      6  -0.119875D+01 -0.183453D+01  0.970754D+00  0.243147D+01 -0.150363D+01
               161           162           163           164           165 
      1  -0.406134D+01  0.439082D+01  0.192799D+01 -0.168144D+01 -0.439911D+01
      2   0.681701D+00 -0.363284D+01 -0.328376D+01  0.763747D+00  0.282034D+01
      3   0.337964D+01 -0.757976D+00  0.135577D+01  0.917694D+00  0.157876D+01
      4   0.712502D+01 -0.515665D+01 -0.151268D+01  0.278409D+01  0.150002D+00
      5  -0.461880D+01  0.255621D+01 -0.353161D+01  0.221662D+00  0.712070D+01
      6   0.165855D+01 -0.106110D+01  0.684870D+00 -0.152877D+00  0.332301D+00
               166           167           168           169           170 
      1  -0.263743D+01  0.522303D+00 -0.100796D+01 -0.838949D+01 -0.703696D+00
      2   0.112534D+01 -0.103611D+01  0.166863D+00  0.904017D+01  0.243873D+00
      3   0.151209D+01  0.513808D+00  0.841099D+00 -0.650671D+00  0.459823D+00
      4   0.505341D+01  0.569087D+00 -0.401849D+01  0.566944D+00 -0.584648D+01
      5   0.772426D+00 -0.366270D+01 -0.161597D+01  0.166768D+02 -0.970640D+00
      6  -0.136513D+01  0.943494D+00  0.642137D+01 -0.152992D+01  0.668294D+01
               171 
      1  -0.118337D+02
      2  -0.207402D+02
      3   0.325739D+02
      4  -0.198445D+01
      5  -0.472213D+02
      6   0.544716D+01
 Leave Link  716 at Fri Aug 13 11:24:01 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.880603D+02  0.110729D+01 -0.236634D+01
      2   0.110729D+01  0.769830D+02  0.189495D+01
      3  -0.236634D+01  0.189495D+01  0.744314D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1  -0.555842D+00 -0.107631D+01  0.129231D+01
      2   0.596600D+01 -0.717518D+01  0.339992D+02
      3   0.566221D+01 -0.255832D+02  0.806717D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1   0.713063D+02 -0.191724D+02  0.423915D+01
      2  -0.389358D+02  0.217651D+02 -0.109971D+02
      3  -0.323705D+02 -0.259278D+01  0.675798D+01
      4  -0.210326D+02  0.419116D+02 -0.189412D+02
      5   0.105926D+02 -0.217747D+02  0.651019D+02
      6  -0.552085D+01  0.546756D+00 -0.891900D+01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.400723D+00  0.301009D+01 -0.346021D+01  0.445211D+01 -0.355871D+01
      2   0.301009D+01 -0.285218D+01  0.116395D+00 -0.355871D+01 -0.322038D+01
      3  -0.346021D+01  0.116395D+00  0.824172D+00 -0.496736D-02 -0.208293D+01
                 6             7             8             9            10 
      1  -0.496736D-02 -0.455164D+01  0.383240D+00 -0.538796D+00  0.163642D+01
      2  -0.208293D+01  0.383240D+00 -0.207041D+01  0.229592D+00 -0.252139D+01
      3   0.583523D+00 -0.538796D+00  0.229592D+00  0.743930D+01  0.412185D+01
                11            12            13            14            15 
      1  -0.252139D+01  0.412185D+01 -0.621371D+01  0.281510D+01  0.177465D+00
      2   0.313867D+01  0.260309D+00  0.281510D+01  0.413630D+01  0.274160D+01
      3   0.260309D+00 -0.529974D+00  0.177465D+00  0.274160D+01  0.487533D+00
                16            17            18            19            20 
      1   0.568345D+01  0.163968D+00  0.108017D+00 -0.259973D+01  0.364174D+01
      2   0.163968D+00  0.272231D+01  0.116042D+01  0.364174D+01 -0.754564D+00
      3   0.108017D+00  0.116042D+01 -0.576414D+01 -0.240961D+01  0.829952D-01
                21            22            23            24            25 
      1  -0.240961D+01  0.634775D+01 -0.426930D+00  0.704213D-01 -0.234153D+01
      2   0.829952D-01 -0.426930D+00 -0.152164D+01 -0.124220D+01  0.163595D+00
      3  -0.538975D+00  0.704213D-01 -0.124220D+01  0.117746D+01 -0.812322D+00
                26            27            28            29            30 
      1   0.163595D+00 -0.812322D+00 -0.159449D+01 -0.162645D+01  0.130154D+01
      2  -0.145803D+01  0.987100D-01 -0.162645D+01  0.503062D+00  0.164704D+01
      3   0.987100D-01  0.614337D+01  0.130154D+01  0.164704D+01  0.366882D+00
                31            32            33            34            35 
      1   0.217640D+01  0.124623D+01  0.161490D+01  0.155089D+01  0.226240D+01
      2   0.124623D+01  0.299616D+01  0.169309D+01  0.226240D+01  0.224503D+01
      3   0.161490D+01  0.169309D+01  0.827715D+00  0.594425D+00  0.988475D-01
                36            37            38            39            40 
      1   0.594425D+00  0.463135D+01  0.306097D+01 -0.849194D+00  0.481090D+01
      2   0.988475D-01  0.306097D+01  0.203457D+00 -0.807968D+00 -0.801622D+00
      3  -0.103830D-01 -0.849194D+00 -0.807968D+00  0.681271D+00 -0.163462D+01
                41            42            43            44            45 
      1  -0.801622D+00 -0.163462D+01  0.190639D+00 -0.127595D+01 -0.679761D+00
      2   0.310750D+01  0.802161D+00 -0.127595D+01  0.377964D+00  0.133361D+01
      3   0.802161D+00  0.156978D+01 -0.679761D+00  0.133361D+01  0.272897D+01
                46            47            48            49            50 
      1   0.149631D+01  0.343521D+01 -0.441760D+01  0.358669D+01 -0.321115D+01
      2   0.343521D+01 -0.304735D+01  0.102604D+00 -0.321115D+01 -0.194669D+01
      3  -0.441760D+01  0.102604D+00  0.468640D+00  0.781728D-01 -0.364722D+01
                51            52            53            54            55 
      1   0.781728D-01 -0.345995D+01 -0.111580D+00  0.311343D+00  0.280992D+01
      2  -0.364722D+01 -0.111580D+00 -0.285680D+01 -0.670172D+00 -0.172073D+01
      3   0.120034D+00  0.311343D+00 -0.670172D+00  0.403547D+01  0.113796D+01
                56            57            58            59            60 
      1  -0.172073D+01  0.113796D+01 -0.103867D+01  0.320238D+01 -0.745256D+00
      2   0.385057D+01 -0.743845D+00  0.320238D+01  0.270073D+01  0.116281D+01
      3  -0.743845D+00  0.205054D+01 -0.745256D+00  0.116281D+01 -0.994507D+00
                61            62            63            64            65 
      1   0.145164D+01 -0.952817D+00  0.224095D+01 -0.319828D+01 -0.300558D+01
      2  -0.952817D+00  0.135563D+01 -0.656035D+00 -0.300558D+01 -0.243261D+01
      3   0.224095D+01 -0.656035D+00 -0.354701D+01 -0.189048D+01 -0.133587D+01
                66            67            68            69            70 
      1  -0.189048D+01 -0.567614D+01 -0.308750D+01 -0.110795D+01 -0.275885D+01
      2  -0.133587D+01 -0.308750D+01 -0.928464D+01 -0.273845D+01 -0.134093D+01
      3  -0.119790D+01 -0.110795D+01 -0.273845D+01 -0.273971D+01 -0.182526D+01
                71            72            73            74            75 
      1  -0.134093D+01 -0.182526D+01  0.572492D+00 -0.389899D+00 -0.850500D+00
      2  -0.256731D+01 -0.286033D+01 -0.389899D+00  0.245445D+00 -0.112653D+00
      3  -0.286033D+01 -0.376704D+01 -0.850500D+00 -0.112653D+00  0.327296D+00
                76            77            78            79            80 
      1  -0.108327D+01  0.164675D+00 -0.191513D-02 -0.150181D+01 -0.106670D+00
      2   0.164675D+00  0.549702D+00 -0.103671D+01 -0.106670D+00 -0.140282D+01
      3  -0.191513D-02 -0.103671D+01 -0.403960D-01  0.178471D+00  0.478055D+00
                81            82            83            84            85 
      1   0.178471D+00 -0.118639D+01 -0.727106D+00 -0.950508D+00 -0.108576D+01
      2   0.478055D+00 -0.727106D+00 -0.979981D+00 -0.257726D-01 -0.873848D+00
      3  -0.841228D+01 -0.950508D+00 -0.257726D-01 -0.249821D+00 -0.836724D-01
                86            87            88            89            90 
      1  -0.873848D+00 -0.836724D-01 -0.139588D+01 -0.100399D+00 -0.103865D+00
      2  -0.676485D+01 -0.163915D+01 -0.100399D+00 -0.166755D+01 -0.148538D+01
      3  -0.163915D+01 -0.179873D+01 -0.103865D+00 -0.148538D+01 -0.554262D+00
                91            92            93            94            95 
      1  -0.876315D+01 -0.993358D+00  0.256596D+01 -0.380886D+01 -0.146115D+01
      2  -0.993358D+00 -0.138390D+01  0.160522D+00 -0.146115D+01 -0.682991D+00
      3   0.256596D+01  0.160522D+00 -0.179910D+01  0.130753D+01  0.522501D+00
                96            97            98            99           100 
      1   0.130753D+01  0.169880D+01  0.285334D+00 -0.136872D+01 -0.170479D+01
      2   0.522501D+00  0.285334D+00  0.474804D+00 -0.106657D+00  0.248104D+01
      3  -0.854046D+00 -0.136872D+01 -0.106657D+00  0.127551D+01 -0.104774D+01
               101           102           103           104           105 
      1   0.248104D+01 -0.104774D+01  0.231491D+01 -0.271886D+01  0.949293D+00
      2  -0.319762D+01  0.113754D+01 -0.271886D+01  0.506784D+01 -0.146112D+01
      3   0.113754D+01 -0.107066D+01  0.949293D+00 -0.146112D+01  0.126732D+01
               106           107           108           109           110 
      1  -0.177414D+01  0.147368D+01 -0.118862D+01 -0.790156D-01  0.510525D+00
      2   0.147368D+01 -0.255644D+01  0.159787D+01  0.510525D+00 -0.162443D+00
      3  -0.118862D+01  0.159787D+01 -0.144703D+01  0.223726D+00 -0.341938D+00
               111           112           113           114           115 
      1   0.223726D+00  0.374725D+00 -0.139657D+00 -0.367521D+00  0.103854D+01
      2  -0.341938D+00 -0.139657D+00  0.107711D+01  0.845880D+00 -0.517279D+00
      3  -0.678343D+00 -0.367521D+00  0.845880D+00  0.869835D+00 -0.745716D+00
               116           117           118           119           120 
      1  -0.517279D+00 -0.745716D+00  0.885151D+00  0.638848D+00  0.111586D+01
      2   0.214770D+01  0.139142D+01  0.638848D+00  0.127569D+01  0.535418D+00
      3   0.139142D+01  0.531073D+01  0.111586D+01  0.535418D+00  0.992995D+00
               121           122           123           124           125 
      1   0.134962D+01  0.115172D+01  0.866587D+00  0.940543D+00  0.421330D+00
      2   0.115172D+01  0.466161D+01  0.217485D+01  0.421330D+00  0.172561D+01
      3   0.866587D+00  0.217485D+01  0.310782D+01  0.543547D+00  0.151258D+01
               126           127           128           129           130 
      1   0.543547D+00 -0.541930D+01 -0.133949D+01  0.237917D+01 -0.129923D+01
      2   0.151258D+01 -0.133949D+01 -0.112330D+01  0.944781D+00 -0.630454D+00
      3   0.193199D+01  0.237917D+01  0.944781D+00 -0.331141D+01  0.592334D+00
               131           132           133           134           135 
      1  -0.630454D+00  0.592334D+00  0.176924D+01  0.558117D+00 -0.182966D+01
      2  -0.911904D+00  0.123602D+01  0.558117D+00  0.956906D+00 -0.709339D+00
      3   0.123602D+01 -0.109102D+01 -0.182966D+01 -0.709339D+00  0.234796D+01
               136           137           138           139           140 
      1   0.386556D+01 -0.257584D+01  0.238030D+01 -0.286282D+01  0.256440D+01
      2  -0.257584D+01  0.262438D+01 -0.137487D+01  0.256440D+01 -0.341884D+01
      3   0.238030D+01 -0.137487D+01  0.228930D+01 -0.139144D+01  0.227116D+01
               141           142           143           144           145 
      1  -0.139144D+01  0.141149D+01 -0.912338D+00  0.145294D+01  0.127377D+01
      2   0.227116D+01 -0.912338D+00  0.152829D+01 -0.136174D+01  0.125085D+01
      3  -0.224342D+01  0.145294D+01 -0.136174D+01  0.177807D+01  0.446942D+00
               146           147           148           149           150 
      1   0.125085D+01  0.446942D+00  0.294112D+01  0.220549D+01 -0.130647D+00
      2   0.161005D+01  0.638305D-01  0.220549D+01  0.572270D+01  0.619839D+00
      3   0.638305D-01  0.295297D+00 -0.130647D+00  0.619839D+00  0.133794D+01
               151           152           153           154           155 
      1   0.128206D+01  0.326408D+00  0.482507D+00  0.672207D+01 -0.287706D+01
      2   0.326408D+00  0.116576D+01  0.785788D+00 -0.287706D+01  0.225669D+01
      3   0.482507D+00  0.785788D+00 -0.117177D+00  0.909940D+00 -0.361079D+00
               156           157           158           159           160 
      1   0.909940D+00 -0.473480D+01  0.291089D+01 -0.261106D+00  0.280867D+01
      2  -0.361079D+00  0.291089D+01 -0.240391D+01  0.618767D+00 -0.751182D+00
      3   0.101854D+01 -0.261106D+00  0.618767D+00 -0.113392D+01  0.112332D+01
               161           162           163           164           165 
      1  -0.751182D+00  0.112332D+01  0.251371D+00 -0.252370D+00 -0.707408D+00
      2   0.996998D+00 -0.723759D+00 -0.252370D+00  0.225934D+00  0.525564D-01
      3  -0.723759D+00  0.206250D+00 -0.707408D+00  0.525564D-01  0.612423D-01
               166           167           168           169           170 
      1  -0.550979D+00  0.648997D+00  0.723947D-01 -0.204217D+01  0.310794D-01
      2   0.648997D+00  0.136207D+00 -0.840887D+00  0.310794D-01 -0.111763D+01
      3   0.723947D-01 -0.840887D+00 -0.453197D+00  0.205720D+01 -0.113473D+00
               171 
      1   0.205720D+01
      2  -0.113473D+00
      3  -0.957830D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.284682D+01  0.231044D+01  0.205011D+00  0.335106D+01  0.228203D+01
      2  -0.929298D+01  0.290931D+01  0.539725D+00  0.386431D+01 -0.862153D+01
      3  -0.813880D+01  0.572959D+01  0.608205D+00  0.131186D+02  0.108687D+02
                 6             7             8             9            10 
      1  -0.359374D+00  0.718120D+00  0.311552D+01 -0.434137D+00  0.353322D+01
      2   0.125461D+01 -0.896174D+01  0.884127D+00  0.214049D+02  0.796367D+01
      3   0.489708D+01 -0.108863D+01  0.594291D+01 -0.124953D+01  0.367816D+01
                11            12            13            14            15 
      1  -0.424206D+00 -0.641392D-01 -0.729347D+00  0.319910D+01 -0.418246D+01
      2  -0.808384D+00  0.413198D+01 -0.419415D+01  0.354710D+01  0.140561D+00
      3  -0.384208D+01 -0.138051D+01  0.153685D+01 -0.915045D+01 -0.423925D+01
                16            17            18            19            20 
      1  -0.498822D+00  0.223801D+01 -0.315195D+01 -0.407864D+01  0.376267D+00
      2  -0.229199D+01  0.130901D+01 -0.607462D+01 -0.777047D-01  0.865026D+00
      3  -0.825884D+00 -0.346114D+01 -0.207851D+00  0.716629D-01 -0.431758D+01
                21            22            23            24            25 
      1  -0.116791D+01 -0.114194D+01  0.127481D+01  0.247167D+01 -0.224758D+00
      2   0.198288D+00  0.695694D+01 -0.505722D+00  0.122813D+01 -0.661182D+01
      3   0.139889D+01  0.873463D+00  0.742141D-02  0.290813D+01 -0.113100D+01
                26            27            28            29            30 
      1   0.537195D+01 -0.185991D+01  0.101160D+01  0.467008D+00  0.211698D+01
      2  -0.346913D+00 -0.251319D+01 -0.980549D+01 -0.795000D+00 -0.266802D+01
      3   0.132242D+01  0.176001D-01 -0.584859D+01  0.174276D+01 -0.158774D+01
                31            32            33            34            35 
      1   0.250924D+01 -0.646827D+01  0.800757D+00 -0.232688D+01  0.207573D+01
      2   0.894349D+01 -0.732980D+00 -0.492080D+01 -0.119823D+02 -0.299883D+01
      3   0.528988D+01  0.101681D+02 -0.236245D+00 -0.574444D+01 -0.247134D+01
                36            37            38            39            40 
      1   0.811946D+01  0.849630D+00 -0.645719D-01  0.154099D+01  0.190411D+01
      2   0.400412D+01  0.132798D+01  0.876290D-01  0.196053D+01 -0.641493D+00
      3   0.180667D+01  0.579569D+01 -0.144568D+01 -0.936781D+00  0.435608D+01
                41            42            43            44            45 
      1   0.267074D+01 -0.269662D+01  0.104250D+01  0.349210D+01 -0.168792D+01
      2  -0.350838D+01 -0.325423D+01 -0.115049D+01 -0.294531D+01 -0.736952D+01
      3   0.896318D+01  0.150213D+01  0.223926D+01  0.244916D+01  0.201916D+01
                46            47            48            49            50 
      1   0.345803D+01 -0.589995D+01  0.779056D+00 -0.598416D+01 -0.612566D+01
      2  -0.101967D+02 -0.675987D+01  0.125731D+02 -0.505219D+01  0.737256D+00
      3  -0.612439D+01 -0.190570D+00  0.267402D+01  0.381492D+01  0.504388D+01
                51            52            53            54            55 
      1  -0.109446D+02 -0.341707D-01 -0.463375D+01  0.285514D+01 -0.168258D+01
      2  -0.310530D+00  0.562478D+01 -0.551819D+00  0.371638D+01  0.946414D+00
      3   0.466271D+01  0.245319D+01  0.368388D+01  0.503597D+00  0.728123D+01
                56            57            58            59            60 
      1   0.115964D+01 -0.583396D+01  0.120068D+01 -0.500804D+01 -0.347488D+01
      2   0.129316D+01  0.446989D+01 -0.148035D+01  0.191829D+00  0.205006D+00
      3  -0.107614D+02  0.155326D+01  0.334926D+01  0.769742D+01 -0.307654D+01
                61            62            63            64            65 
      1  -0.436401D+01  0.667303D+01  0.903219D+01  0.163607D+01  0.251786D+01
      2  -0.875440D+00  0.274969D+00 -0.574397D+00  0.907689D+00  0.529671D+00
      3   0.308640D+01 -0.217114D+01  0.557210D+01  0.125043D+01 -0.532591D+01
                66            67            68            69            70 
      1  -0.327732D+01  0.295284D+00  0.513867D+01 -0.726527D+01  0.926785D+00
      2   0.569214D+01 -0.834862D+01  0.243929D+01  0.612493D+01 -0.375198D-01
      3  -0.933498D+00  0.425426D+01 -0.157397D+02 -0.319019D+01  0.104362D+01
                71            72            73            74            75 
      1   0.359350D+01 -0.317085D+01  0.754305D+00 -0.331272D+00  0.269764D-01
      2   0.554282D+01  0.424387D+01  0.103124D+01 -0.282472D+00  0.213684D+00
      3  -0.214244D+01 -0.456079D+01  0.101178D+01 -0.435383D+00 -0.697810D+00
                76            77            78            79            80 
      1  -0.143559D-02 -0.644208D+00 -0.281160D+00  0.786163D-01  0.356102D+01
      2  -0.847129D+00  0.460468D+00 -0.296240D-01 -0.387998D+01  0.663345D-01
      3   0.126119D+01  0.995657D-01 -0.524981D+00 -0.388821D+00 -0.420194D+00
                81            82            83            84            85 
      1   0.180902D+01 -0.133622D+01  0.165208D+00 -0.569358D+00 -0.160494D+00
      2   0.859601D+00 -0.205551D+01 -0.295776D+00  0.486781D-01 -0.901618D+00
      3   0.277329D-01  0.325989D+01  0.976882D+00  0.988414D+00  0.541702D+01
                86            87            88            89            90 
      1   0.168605D+00 -0.368878D+01 -0.224391D+00  0.386005D+00 -0.485993D+00
      2  -0.180753D+01 -0.169781D+01 -0.222450D+01 -0.162452D+01 -0.604436D+00
      3   0.823017D+01  0.221369D+01  0.212023D+01  0.202118D+01  0.192770D+01
                91            92            93            94            95 
      1  -0.173026D+01 -0.144317D+01  0.248732D+00 -0.686291D+00 -0.110067D+01
      2  -0.115141D+01  0.468811D+00  0.441654D+01 -0.130195D+01 -0.412640D+00
      3  -0.447433D+01 -0.499640D+01  0.131893D+01 -0.274955D+01 -0.333173D+01
                96            97            98            99           100 
      1  -0.304535D+00  0.887434D+00  0.558580D+00 -0.470822D+00  0.141599D+01
      2   0.242689D+01  0.891239D+00  0.412728D+00 -0.185357D+01 -0.122408D+01
      3   0.859252D+00  0.177262D+01  0.157014D+01 -0.877002D+00 -0.544438D+01
               101           102           103           104           105 
      1  -0.178968D+01  0.335378D+01 -0.161216D+01  0.144162D+01 -0.343070D+01
      2   0.533789D+00  0.572006D+00  0.799970D+00 -0.605464D+00 -0.438178D+00
      3   0.439070D+01 -0.251271D+01  0.777674D+01 -0.599077D+01  0.284565D+01
               106           107           108           109           110 
      1   0.209106D+01 -0.148571D+01  0.241602D+01 -0.651040D+00  0.886631D+00
      2  -0.154189D+01  0.274247D+00 -0.308805D-01  0.725339D+00  0.197209D+00
      3  -0.471342D+01  0.352159D+01 -0.306212D+01 -0.482725D+00  0.106788D+00
               111           112           113           114           115 
      1   0.187541D+01  0.111295D+01 -0.211991D+01 -0.229967D+01  0.173298D+01
      2  -0.349199D+00  0.138447D+00 -0.120969D+00  0.394908D+00 -0.274350D+01
      3   0.675838D+00  0.963891D+00 -0.582474D+00 -0.105173D+01  0.303796D+01
               116           117           118           119           120 
      1  -0.145063D+01 -0.142867D+02  0.176433D+01  0.283939D+01  0.111432D+01
      2   0.437121D+00  0.892443D+00  0.203348D+00 -0.376795D+00  0.623552D+00
      3  -0.111751D+01 -0.236870D+01 -0.554834D+00 -0.266091D+01 -0.115876D+01
               121           122           123           124           125 
      1   0.216541D+01  0.125195D+02  0.334723D+01  0.137495D+01  0.564677D+01
      2  -0.250225D+01  0.104067D+01  0.328288D+01 -0.222341D+01  0.103405D+01
      3   0.207730D+00 -0.773111D+01 -0.272888D+01 -0.501747D+00 -0.233150D+01
               126           127           128           129           130 
      1   0.347218D+01 -0.549810D+00 -0.245042D+01 -0.146392D+01 -0.877885D+00
      2   0.149668D+01  0.161887D+02  0.342386D+01 -0.545562D+01  0.329167D+01
      3  -0.221928D+01  0.646350D+01  0.262855D+00 -0.237288D+01  0.280254D+01
               131           132           133           134           135 
      1  -0.504824D+00  0.391655D+00 -0.355609D+00  0.253145D+01  0.487825D+00
      2   0.240215D+01 -0.170143D+01 -0.729136D+01 -0.195004D+01  0.500933D+01
      3   0.933516D+00 -0.165084D+01 -0.201731D+01 -0.558273D+00  0.205728D+01
               136           137           138           139           140 
      1  -0.277049D+01  0.469606D+01  0.424353D+00  0.344007D+01 -0.461812D+01
      2  -0.402205D+01  0.255039D+01  0.145922D+01  0.406681D+01 -0.127193D+01
      3  -0.103040D+00 -0.333856D+01  0.426675D+00  0.497325D+00  0.341835D+01
               141           142           143           144           145 
      1   0.231729D+00 -0.824908D+00  0.295462D+01 -0.680263D+00 -0.102636D+01
      2  -0.162349D+01 -0.266473D+01  0.115839D+00  0.286932D+00  0.230913D+01
      3  -0.203186D+01 -0.522353D+00 -0.188842D+01  0.730563D+00 -0.423890D+01
               146           147           148           149           150 
      1  -0.138360D+01 -0.699224D+00 -0.142034D+01 -0.430398D+01 -0.283464D+01
      2   0.112335D+01  0.188654D+01  0.132465D+01  0.409124D+01  0.468305D+01
      3  -0.490937D+01 -0.105565D+00 -0.271292D+01 -0.185578D+02 -0.229025D+01
               151           152           153           154           155 
      1  -0.385812D+00  0.311627D-01 -0.811638D+00  0.220312D+01 -0.148212D+01
      2   0.649237D+00  0.230663D+01  0.391617D+00  0.719325D+01 -0.352654D+01
      3  -0.197317D+00 -0.391569D+01 -0.201655D+01  0.527910D+01 -0.821477D+01
               156           157           158           159           160 
      1   0.145610D+01 -0.181113D+01  0.154885D+01 -0.233573D+01  0.714628D+00
      2   0.598349D+01 -0.374909D+01  0.395956D+01 -0.472825D+01  0.361342D+01
      3   0.104815D+01 -0.541672D+01  0.693670D+01 -0.185357D+01  0.107968D+01
               161           162           163           164           165 
      1  -0.135399D+00  0.956324D+00  0.459224D-01 -0.149517D+00 -0.658735D-01
      2  -0.250979D+01  0.204373D+01 -0.215469D+01 -0.189748D+00  0.923274D+00
      3  -0.338797D+01  0.177310D+01  0.764350D+00 -0.126565D+01  0.458372D-01
               166           167           168           169           170 
      1  -0.369791D+00 -0.297841D+00 -0.364411D+00  0.226513D+00  0.397069D+01
      2  -0.367439D+00 -0.128243D+01 -0.103663D+01 -0.331512D+00 -0.284098D+00
      3  -0.607015D+00 -0.729520D+00  0.179917D+01  0.297976D+00  0.335434D+01
               171 
      1  -0.115997D+01
      2  -0.241424D+02
      3   0.126311D+00
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1   0.473015D+00  0.175994D+02 -0.194750D+02  0.215478D+02 -0.219827D+02
      2  -0.603917D+01 -0.718614D+01  0.862994D+01 -0.104423D+02  0.584661D+01
      3   0.556616D+01 -0.104132D+02  0.108450D+02 -0.111055D+02  0.161361D+02
      4   0.210494D+02 -0.178943D+02  0.240286D+01 -0.260809D+02 -0.154548D+02
      5  -0.200222D+02 -0.893439D+00  0.537404D+01 -0.201416D+01 -0.897252D+01
      6  -0.798623D+00  0.212025D+01 -0.259374D+00  0.171104D+01  0.399421D+01
                 6             7             8             9            10 
      1   0.507197D+00 -0.232110D+02  0.256973D+01  0.105506D+02 -0.110023D+02
      2   0.557676D+00  0.742695D+01 -0.528083D+00  0.982633D+01  0.173226D+01
      3  -0.106487D+01  0.157841D+02 -0.204164D+01 -0.203770D+02  0.927006D+01
      4  -0.104087D+02  0.471658D+01 -0.121982D+02  0.316855D+01 -0.773526D+01
      5   0.163041D+01  0.103028D+01  0.181711D+01  0.328345D+02  0.135326D+02
      6   0.174710D+01  0.659010D+00  0.167089D+01 -0.522447D+01 -0.492987D+01
                11            12            13            14            15 
      1  -0.556380D+01  0.121518D+02 -0.734347D+01  0.146733D+02  0.384373D+01
      2   0.161246D+01 -0.844716D+01  0.322269D+01 -0.177569D+02 -0.705979D+01
      3   0.395134D+01 -0.370465D+01  0.412078D+01  0.308356D+01  0.321606D+01
      4   0.644851D+01 -0.218807D+01  0.164697D+02  0.602650D+01  0.545904D+01
      5   0.117662D+01 -0.157975D+01  0.331018D+01  0.550597D+01  0.157291D+01
      6   0.274021D+00  0.315531D+00  0.902934D+00 -0.821681D+01  0.262141D+01
                16            17            18            19            20 
      1   0.167207D+02  0.270821D+01  0.512886D+01 -0.136054D+02 -0.244710D+01
      2  -0.790265D+01 -0.326743D+01 -0.149188D+00  0.175303D+02  0.257928D+01
      3  -0.881806D+01  0.559224D+00 -0.497968D+01 -0.392492D+01 -0.132186D+00
      4  -0.234225D+01  0.524288D+01  0.168916D+01  0.549436D+01  0.335160D+01
      5  -0.169793D+01  0.262331D+01 -0.149108D+02  0.360117D+01 -0.342538D+00
      6  -0.379037D+00 -0.273786D+01  0.306053D+01  0.353829D+01 -0.833687D+00
                21            22            23            24            25 
      1   0.151828D+01 -0.564975D+00  0.145903D+01  0.356611D+01 -0.746193D+01
      2   0.346674D+00 -0.761647D+00 -0.660425D+01 -0.235126D+01  0.162353D+01
      3  -0.186495D+01  0.132662D+01  0.514522D+01 -0.121485D+01  0.583840D+01
      4   0.215511D+01 -0.123664D+02  0.109188D+01  0.288933D+00 -0.667274D+00
      5   0.570395D+00  0.239260D+01  0.877880D+00  0.466172D+00  0.133773D+01
      6   0.450047D+00  0.127741D+00  0.180060D+01 -0.459598D+01 -0.144591D+01
                26            27            28            29            30 
      1   0.259883D+01  0.102073D+02  0.624115D+01  0.105742D+02 -0.200839D+01
      2  -0.653500D+01  0.123094D+02 -0.955077D+01 -0.986584D+01 -0.266655D+01
      3   0.393617D+01 -0.225168D+02  0.330962D+01 -0.708332D+00  0.467494D+01
      4  -0.280700D+01 -0.387742D+00  0.353044D-01 -0.105747D+02 -0.796654D+01
      5  -0.183091D+01  0.222164D+01 -0.406615D+01 -0.851561D+01 -0.964785D+01
      6   0.145065D+01  0.416156D+01 -0.648379D+01 -0.184682D+01 -0.361868D+01
                31            32            33            34            35 
      1  -0.176547D+01  0.494804D+01  0.528181D+00 -0.509443D+01 -0.565873D+01
      2  -0.339853D+01 -0.135055D+02  0.604502D+01  0.913698D+00 -0.155157D+01
      3   0.516400D+01  0.855742D+01 -0.657320D+01  0.418073D+01  0.721030D+01
      4  -0.175433D+02 -0.209438D+02 -0.491862D+01 -0.158739D+02 -0.178888D+01
      5  -0.165348D+02 -0.727226D+01 -0.102299D+02 -0.463537D+01 -0.351036D+01
      6  -0.235545D+01 -0.920574D+01 -0.600544D+01 -0.182902D+00 -0.116750D+00
                36            37            38            39            40 
      1  -0.277390D+01 -0.158137D+02 -0.147153D+02  0.531974D+01 -0.233307D+02
      2   0.177998D-01  0.105152D+02  0.722580D+01 -0.176106D+00  0.127050D+02
      3   0.275610D+01  0.529853D+01  0.748947D+01 -0.514363D+01  0.106258D+02
      4  -0.277346D+01 -0.188520D+02  0.763197D+01  0.589159D+01  0.101018D+02
      5   0.363830D+01  0.670661D+01  0.589285D+01  0.418275D+01  0.119166D+02
      6  -0.731382D+01  0.521845D+01 -0.262034D+00 -0.350860D+01 -0.113135D+01
                41            42            43            44            45 
      1  -0.231108D+01  0.416468D+01  0.427729D+01  0.226213D+01 -0.388138D+01
      2   0.650895D+01 -0.484661D+01 -0.178972D+01 -0.145954D+01 -0.700397D+01
      3  -0.419787D+01  0.681932D+00 -0.248757D+01 -0.802598D+00  0.108854D+02
      4  -0.146773D+02 -0.484781D+01  0.833646D+01 -0.511317D+01 -0.721127D+01
      5  -0.289004D+01 -0.832440D+01  0.858606D+01 -0.662833D+01 -0.147913D+02
      6   0.393077D+01  0.600218D+01 -0.348685D+01  0.515368D+01  0.344703D+01
                46            47            48            49            50 
      1   0.126696D+02  0.806532D+01 -0.110464D+02  0.706820D+01 -0.364252D+01
      2  -0.228832D+01 -0.838755D-01  0.379334D+01 -0.168808D+00  0.100116D+02
      3  -0.103813D+02 -0.798144D+01  0.725301D+01 -0.689939D+01 -0.636912D+01
      4   0.645144D+01 -0.145263D+02  0.830582D+01 -0.158615D+02 -0.101126D+01
      5  -0.491726D+01  0.105047D+02 -0.115613D+02  0.888816D+01 -0.189995D+02
      6   0.161666D+02 -0.105928D+02 -0.135872D+01 -0.120628D+02 -0.377804D+01
                51            52            53            54            55 
      1   0.164949D+01 -0.934082D+01 -0.201126D-01 -0.903752D+01  0.121912D+02
      2   0.412651D+01  0.255238D+01  0.416404D+01 -0.666030D+01 -0.119505D+02
      3  -0.577599D+01  0.678844D+01 -0.414392D+01  0.156978D+02 -0.240766D+00
      4  -0.123495D+02  0.639315D+01 -0.854360D+01 -0.159703D+01  0.553088D+01
      5  -0.924343D+00 -0.115334D+02 -0.246952D+01  0.110730D+02 -0.229245D+01
      6  -0.141008D+02 -0.730568D+00 -0.102228D+02 -0.299213D+01  0.444005D+01
                56            57            58            59            60 
      1  -0.987459D+01  0.582848D+00 -0.850342D+01 -0.121230D+02 -0.342210D+01
      2   0.159182D+02 -0.315764D+01  0.154206D+02  0.208923D+02  0.596214D+01
      3  -0.604357D+01  0.257479D+01 -0.691714D+01 -0.876928D+01 -0.254004D+01
      4  -0.560642D+01  0.337272D+01  0.332028D+01  0.144393D+02 -0.391839D+01
      5   0.244232D+01  0.195543D+01  0.469084D+00 -0.307791D+01  0.147973D+01
      6  -0.575095D+01  0.890007D+01 -0.594992D+01  0.513955D+01  0.211078D+01
                61            62            63            64            65 
      1   0.326267D+01 -0.117693D+01  0.198387D+01  0.162663D+02  0.661898D+01
      2  -0.362910D+01  0.641391D+01 -0.447872D+01 -0.551734D+01  0.127230D+01
      3   0.366428D+00 -0.523698D+01  0.249484D+01 -0.107490D+02 -0.789128D+01
      4   0.444954D+01 -0.254018D+01  0.863751D+01  0.182415D+02  0.200909D+02
      5   0.340406D+01  0.345159D+01 -0.106202D+01  0.127741D+02  0.890538D+01
      6   0.994652D+01 -0.103127D+01 -0.127073D+02  0.576018D+01  0.438734D+01
                66            67            68            69            70 
      1   0.349843D+01  0.958454D+01 -0.131712D+02 -0.508806D+01  0.658395D+01
      2  -0.329954D+01  0.720212D+00  0.303007D+02  0.185429D+01 -0.358588D+01
      3  -0.198887D+00 -0.103048D+02 -0.171294D+02  0.323378D+01 -0.299807D+01
      4   0.787177D+01  0.271370D+02  0.406814D+02  0.106686D+02  0.927975D+01
      5   0.146139D+02  0.110038D+02  0.136170D+02  0.149450D+02  0.151055D+02
      6   0.568914D+01  0.632879D+01  0.146494D+02  0.149744D+02  0.620100D+01
                71            72            73            74            75 
      1  -0.258386D+01 -0.509662D+01  0.133620D+01 -0.189188D+00 -0.319575D+00
      2   0.180931D+01 -0.298006D+01 -0.474718D+01  0.401929D+00  0.503030D+00
      3   0.774549D+00  0.807668D+01  0.341098D+01 -0.212741D+00 -0.183455D+00
      4   0.878020D+01  0.121955D+02 -0.686152D+00  0.130458D+01 -0.120716D+01
      5   0.131319D+02  0.167759D+02 -0.133511D+01 -0.520939D+00  0.604616D+01
      6   0.134891D+02  0.114547D+02 -0.132127D+01  0.150595D+00  0.359316D+00
                76            77            78            79            80 
      1   0.872158D+00 -0.400745D+01  0.172818D+00  0.123986D+01  0.272149D+01
      2   0.478061D+00  0.795368D+00 -0.114467D+01  0.763949D+00 -0.124821D+01
      3  -0.135022D+01  0.321209D+01  0.971848D+00 -0.200381D+01 -0.147328D+01
      4   0.274023D+01 -0.304313D+00 -0.117729D+00  0.334602D-01  0.650068D+00
      5  -0.108129D-01 -0.505654D+00 -0.413552D+00  0.553121D+01  0.560408D+00
      6   0.125415D+00 -0.103907D+01  0.681205D+01  0.168202D+00  0.524966D+01
                81            82            83            84            85 
      1  -0.196850D+02  0.554194D-02 -0.253923D+01 -0.219623D+01 -0.417329D+01
      2  -0.165292D+02  0.314203D+01  0.300926D+01  0.184348D+01  0.412668D+01
      3   0.362143D+02 -0.314758D+01 -0.470032D+00  0.352758D+00  0.466093D-01
      4  -0.322730D+00  0.239960D+00  0.348959D+01  0.105376D+01  0.253787D+01
      5  -0.369627D+00 -0.157134D+01  0.693917D+00  0.125156D+01  0.946854D+00
      6  -0.687238D+01  0.189715D+01  0.927820D+00  0.675202D+00  0.742428D+00
                86            87            88            89            90 
      1  -0.175676D+02 -0.283113D+01 -0.359950D+01 -0.416958D+01 -0.517211D+01
      2   0.281923D+02  0.588332D+01  0.209665D+01  0.446821D+01  0.294768D+01
      3  -0.106247D+02 -0.305219D+01  0.150285D+01 -0.298635D+00  0.222443D+01
      4  -0.107865D+02 -0.292067D+01  0.346565D+00 -0.298558D+01 -0.210059D+01
      5  -0.296926D+01 -0.389175D+01  0.235599D+01 -0.250631D+01 -0.441601D+00
      6   0.879716D+01  0.671613D+01  0.114685D+01  0.825860D+01  0.463767D+01
                91            92            93            94            95 
      1   0.476085D+02  0.581211D+01 -0.119648D+02  0.183963D+02  0.625043D+01
      2  -0.271433D+02 -0.371233D+01  0.809284D+01 -0.101771D+02 -0.288464D+01
      3  -0.204652D+02 -0.209978D+01  0.387196D+01 -0.821917D+01 -0.336579D+01
      4   0.508732D+01  0.632159D+01 -0.133214D+01  0.981517D+01  0.448869D+01
      5  -0.181442D+02 -0.179767D+01  0.106601D+02 -0.839753D+01 -0.370848D+01
      6  -0.293019D+01 -0.100216D+01  0.118338D+01 -0.356224D+01 -0.195747D+01
                96            97            98            99           100 
      1  -0.544000D+01 -0.531866D+01 -0.466257D+00  0.545879D+01 -0.256868D+01
      2   0.362125D+01  0.481632D+01  0.659601D+00 -0.504397D+01  0.833648D+01
      3   0.181874D+01  0.502342D+00 -0.193344D+00 -0.414818D+00 -0.576780D+01
      4  -0.334690D+01 -0.828998D+00 -0.170217D+01  0.810350D+00 -0.866314D+01
      5   0.500102D+01  0.101238D+02  0.140161D+01 -0.691546D+01  0.303282D+01
      6   0.220464D+01  0.774948D+00  0.131211D+01 -0.933262D+00 -0.598454D+01
               101           102           103           104           105 
      1   0.788589D+01 -0.249635D+01  0.655696D+01 -0.133711D+02  0.406429D+01
      2  -0.151242D+02  0.415690D+01 -0.122718D+02  0.245753D+02 -0.673805D+01
      3   0.723833D+01 -0.166055D+01  0.571479D+01 -0.112042D+02  0.267375D+01
      4   0.135306D+02 -0.500498D+01  0.121382D+02 -0.129249D+02  0.461910D+01
      5  -0.296300D+01  0.332552D+01 -0.173366D+01  0.302673D+01 -0.163090D+01
      6   0.790775D+01 -0.632024D+01  0.628667D+01 -0.100400D+02  0.746541D+01
               106           107           108           109           110 
      1  -0.406178D+01  0.622980D+01 -0.527992D+01 -0.122899D+01  0.133518D+01
      2   0.526001D+01 -0.877660D+01  0.481333D+01  0.162132D+01 -0.133630D+01
      3  -0.119824D+01  0.254680D+01  0.466594D+00 -0.392327D+00  0.112388D-02
      4  -0.644939D+01  0.625785D+01 -0.517587D+01  0.509024D+00  0.338240D+01
      5   0.336607D+01 -0.266937D+01  0.259073D+01 -0.102751D+01 -0.408244D+00
      6  -0.651696D+01  0.101881D+02 -0.740827D+01  0.378907D+00 -0.201306D+01
               111           112           113           114           115 
      1   0.159127D+01  0.106426D+01 -0.342185D+01 -0.259652D+01  0.108190D+01
      2  -0.966492D+00 -0.924794D+00  0.467709D+01  0.295466D+01 -0.132688D+01
      3  -0.624774D+00 -0.139463D+00 -0.125524D+01 -0.358139D+00  0.244986D+00
      4   0.532217D+00  0.308770D+01 -0.837231D+00 -0.125303D+01  0.359892D+01
      5   0.185774D+01  0.157118D-01 -0.335754D+00 -0.303758D+00  0.131147D+01
      6  -0.316357D+01 -0.147978D+01  0.298305D+01  0.649096D+01 -0.374366D+01
               116           117           118           119           120 
      1  -0.609454D+01 -0.777885D+01  0.218825D+01  0.185927D+01  0.160574D+01
      2   0.761164D+01  0.134086D+01 -0.310165D+01 -0.263447D+01 -0.360037D+01
      3  -0.151710D+01  0.643799D+01  0.913393D+00  0.775207D+00  0.199462D+01
      4  -0.186439D+01 -0.352646D+01  0.331247D+01  0.651158D+01  0.149959D+01
      5  -0.123311D+01 -0.106995D+01  0.589780D+01  0.380005D+01  0.787537D+01
      6   0.751886D+01  0.204989D+02  0.179667D+01  0.502989D+01  0.231642D+01
               121           122           123           124           125 
      1   0.361269D+01 -0.304726D+01 -0.513152D+01  0.111185D+01 -0.281114D+01
      2  -0.438928D+01 -0.136800D+01 -0.713269D+01 -0.262098D+01 -0.429148D+01
      3   0.776591D+00  0.441526D+01  0.122642D+02  0.150913D+01  0.710262D+01
      4   0.626517D+01  0.124012D+02  0.706778D+01  0.839636D+00  0.478316D+01
      5   0.731537D+01  0.104241D+02  0.111516D+02  0.618504D+01  0.575950D+01
      6   0.530959D+01  0.173474D+02  0.107314D+02  0.227852D+01  0.999170D+01
               126           127           128           129           130 
      1  -0.446766D+01 -0.937663D+01 -0.593242D+01  0.131377D+02 -0.467737D+01
      2  -0.506683D+01  0.830177D+00  0.274355D+01  0.211399D+01  0.243432D+01
      3   0.953449D+01  0.854645D+01  0.318886D+01 -0.152516D+02  0.224305D+01
      4   0.434665D+01  0.596011D+01  0.349406D+01 -0.315428D+01  0.439568D+01
      5   0.706428D+01 -0.134669D+02 -0.369058D+01  0.587809D+01 -0.378671D+01
      6   0.700462D+01 -0.731670D+01 -0.612888D+01  0.748929D+01 -0.350914D+01
               131           132           133           134           135 
      1  -0.473312D+01  0.448427D+01  0.879701D+01  0.389618D+01 -0.103054D+02
      2   0.237043D+01 -0.118652D+01  0.126889D+01 -0.989732D+00 -0.343724D+01
      3   0.236269D+01 -0.329774D+01 -0.100659D+02 -0.290645D+01  0.137427D+02
      4   0.139681D+01  0.502794D+00 -0.226120D+01 -0.429351D-02  0.225093D+01
      5   0.107359D+00  0.102854D+01  0.772556D+01  0.171814D+01 -0.474460D+01
      6  -0.460788D+01  0.708919D+01  0.480041D+01  0.621668D+01 -0.582355D+01
               136           137           138           139           140 
      1   0.117899D+02 -0.422458D+01  0.188198D+01 -0.535255D+01 -0.215180D+01
      2  -0.685558D+01 -0.281829D+00 -0.528485D+01  0.241805D+00  0.624616D+01
      3  -0.493437D+01  0.450641D+01  0.340287D+01  0.511074D+01 -0.409436D+01
      4  -0.161296D+02  0.149845D+02 -0.859630D+01  0.155699D+02 -0.166275D+02
      5   0.186688D+02 -0.119361D+02  0.158924D+02 -0.130394D+02  0.131760D+02
      6  -0.112566D+02  0.116700D+02 -0.868255D+01  0.107575D+02 -0.151863D+02
               141           142           143           144           145 
      1   0.303696D+01  0.145686D+01  0.208596D+01 -0.179817D+01  0.916392D+01
      2   0.697173D+00 -0.389070D+01  0.789790D+00 -0.392696D+01 -0.142600D+01
      3  -0.373414D+01  0.243384D+01 -0.287574D+01  0.572512D+01 -0.773792D+01
      4   0.960435D+01 -0.533201D+01  0.613239D+01 -0.697982D+01  0.717251D+01
      5  -0.109670D+02  0.117808D+02 -0.763708D+01  0.105129D+02  0.181177D+01
      6   0.131957D+02 -0.637343D+01  0.993326D+01 -0.867198D+01 -0.633837D+00
               146           147           148           149           150 
      1   0.662981D+01  0.292971D+01  0.158828D+02  0.879782D+01  0.299728D+00
      2  -0.156800D+01 -0.977389D+00 -0.570557D+01  0.524568D+01  0.164124D+01
      3  -0.506181D+01 -0.195232D+01 -0.101772D+02 -0.140435D+02 -0.194097D+01
      4   0.134722D+02  0.105209D+01  0.174838D+02  0.322893D+02  0.353051D+01
      5   0.158255D+00  0.235940D+01 -0.174230D+01  0.336679D+01  0.831378D+01
      6  -0.177139D+01  0.399786D+00 -0.140802D+01 -0.463006D+01  0.211935D+01
               151           152           153           154           155 
      1   0.758465D+01  0.141056D+01 -0.230981D+00  0.491479D+02 -0.177361D+02
      2  -0.296038D+01  0.542264D+00 -0.122682D+01 -0.205112D+02  0.552832D+01
      3  -0.462428D+01 -0.195282D+01  0.145780D+01 -0.286367D+02  0.122078D+02
      4   0.242259D+01  0.642235D+01  0.411737D+01 -0.243982D+02  0.187865D+02
      5   0.339930D+01  0.471810D+01 -0.107178D+00  0.198278D+01 -0.832595D+00
      6   0.102469D+01  0.231701D+01  0.119097D+01  0.177424D+01 -0.211293D+01
               156           157           158           159           160 
      1   0.653321D+01 -0.269751D+02  0.135577D+02 -0.206346D+01  0.159384D+02
      2  -0.214687D+01  0.924149D+01  0.136980D+00 -0.523941D+00 -0.647871D+01
      3  -0.438634D+01  0.177336D+02 -0.136947D+02  0.258740D+01 -0.945973D+01
      4  -0.294313D+01  0.237965D+02 -0.187094D+02  0.399238D+01 -0.722857D+01
      5   0.825666D+01  0.228564D+00  0.229230D+01 -0.728762D+01  0.800736D+01
      6  -0.119875D+01 -0.183453D+01  0.970754D+00  0.243147D+01 -0.150363D+01
               161           162           163           164           165 
      1  -0.406134D+01  0.439082D+01  0.192799D+01 -0.168144D+01 -0.439911D+01
      2   0.681701D+00 -0.363284D+01 -0.328376D+01  0.763747D+00  0.282034D+01
      3   0.337964D+01 -0.757976D+00  0.135577D+01  0.917694D+00  0.157876D+01
      4   0.712502D+01 -0.515665D+01 -0.151268D+01  0.278409D+01  0.150002D+00
      5  -0.461880D+01  0.255621D+01 -0.353161D+01  0.221662D+00  0.712070D+01
      6   0.165855D+01 -0.106110D+01  0.684870D+00 -0.152877D+00  0.332301D+00
               166           167           168           169           170 
      1  -0.263743D+01  0.522303D+00 -0.100796D+01 -0.838949D+01 -0.703696D+00
      2   0.112534D+01 -0.103611D+01  0.166863D+00  0.904017D+01  0.243873D+00
      3   0.151209D+01  0.513808D+00  0.841099D+00 -0.650671D+00  0.459823D+00
      4   0.505341D+01  0.569087D+00 -0.401849D+01  0.566944D+00 -0.584648D+01
      5   0.772426D+00 -0.366270D+01 -0.161597D+01  0.166768D+02 -0.970640D+00
      6  -0.136513D+01  0.943494D+00  0.642137D+01 -0.152992D+01  0.668294D+01
               171 
      1  -0.118337D+02
      2  -0.207402D+02
      3   0.325739D+02
      4  -0.198445D+01
      5  -0.472213D+02
      6   0.544716D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x         -0.215179D+00     -0.546931D+00     -0.182437D+01
   y          0.445633D+00      0.113269D+01      0.377824D+01
   z          0.410580D+00      0.104359D+01      0.348104D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.821626D+02      0.121752D+02      0.135468D+02
   yx         0.197499D+00      0.292664D-01      0.325632D-01
   yy         0.714152D+02      0.105826D+02      0.117748D+02
   zx        -0.230729D+01     -0.341906D+00     -0.380421D+00
   zy         0.172901D+01      0.256213D+00      0.285076D+00
   zz         0.696614D+02      0.103228D+02      0.114856D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.798249D+02      0.118288D+02      0.131613D+02
   aniso      0.137380D+02      0.203576D+01      0.226509D+01
   xx         0.880603D+02      0.130492D+02      0.145192D+02
   yx         0.110729D+01      0.164083D+00      0.182567D+00
   yy         0.769830D+02      0.114077D+02      0.126928D+02
   zx        -0.236634D+01     -0.350655D+00     -0.390157D+00
   zy         0.189495D+01      0.280803D+00      0.312436D+00
   zz         0.744314D+02      0.110296D+02      0.122721D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          3.87718730          1.31020045         -2.52720801
     6          1.77602786         -0.36299512         -1.47478591
     6         -0.28594311          1.26872684         -0.18610081
     6         -2.63279675         -0.36241919          0.21775983
     8         -3.15548669         -0.81117053          2.68345905
     6          2.83061932         -2.37902118          0.30748124
     7          0.68495975          2.58499014          2.01968707
     8         -3.90793615         -1.21219701         -1.46379190
     1         -0.86963823          2.68901175         -1.56671539
     1          0.83829038         -1.31552143         -3.04855986
     1         -4.64046715         -1.88650245          2.71446645
     1         -0.56638850          3.89192806          2.63872687
     1          0.97246728          1.36981011          3.46875961
     1          3.85124092         -1.52189281          1.88337496
     1          1.34547787         -3.58677578          1.07845712
     1          4.16130300         -3.59157246         -0.69699099
     1          4.78292724          2.37875489         -1.01680800
     1          5.30984503          0.16172798         -3.46738994
     1          3.13704265          2.65609256         -3.90534545

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.643014D+00      0.163438D+01      0.545170D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.643014D+00      0.163438D+01      0.545170D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.744131D+02      0.110269D+02      0.122691D+02
   aniso      0.127471D+02      0.188892D+01      0.210171D+01
   xx         0.793245D+02      0.117547D+02      0.130789D+02
   yx         0.357787D+01      0.530185D+00      0.589911D+00
   yy         0.695863D+02      0.103116D+02      0.114732D+02
   zx        -0.416425D+01     -0.617078D+00     -0.686591D+00
   zy        -0.553972D+00     -0.820901D-01     -0.913376D-01
   zz         0.743284D+02      0.110143D+02      0.122551D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.798249D+02      0.118288D+02      0.131613D+02
   aniso      0.137380D+02      0.203576D+01      0.226509D+01
   xx         0.853082D+02      0.126414D+02      0.140654D+02
   yx         0.448208D+01      0.664176D+00      0.738995D+00
   yy         0.748086D+02      0.110855D+02      0.123343D+02
   zx        -0.386828D+01     -0.573220D+00     -0.637794D+00
   zy        -0.366350D+00     -0.542874D-01     -0.604029D-01
   zz         0.793579D+02      0.117596D+02      0.130844D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-F16-05\Freq\RwB97XD\Gen\C5H11N1O2\PIERPA\13-Aug-2021\0\\#
 P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA 
 Guess=Read Geom=Check CPHF=RdFreq\\ROA calculations.\\0,1\C,2.457159,-
 0.146332,-0.647837\C,1.109574,-0.543619,-0.050687\C,-0.012989,0.384911
 ,-0.578811\C,-1.363704,-0.252903,-0.259735\O,-2.091645,0.444358,0.6454
 21\C,1.162885,-0.565114,1.477637\N,0.173654,1.758943,-0.144286\O,-1.75
 8233,-1.282971,-0.742079\H,0.050109,0.366136,-1.669549\H,0.854606,-1.5
 47323,-0.399183\H,-2.90979,-0.057734,0.787298\H,-0.455006,2.381115,-0.
 636018\H,-0.032228,1.857361,0.841913\H,1.451195,0.409891,1.876513\H,0.
 203705,-0.845376,1.91808\H,1.905982,-1.287391,1.818568\H,2.716265,0.87
 5135,-0.368973\H,3.243945,-0.813424,-0.290625\H,2.437115,-0.203744,-1.
 73816\\Version=ES64L-G16RevA.03\State=1-A\HF=-402.5693911\RMSD=5.036e-
 09\RMSF=3.613e-06\ZeroPoint=0.1643012\Thermal=0.1738437\Dipole=-0.2151
 793,0.4456332,0.4105802\DipoleDeriv=-0.0119189,-0.0412928,0.0236683,0.
 0364957,0.0846448,0.0087494,0.003443,0.0203926,0.0682218,0.1805674,-0.
 0127442,-0.0139547,-0.1409625,0.0335961,-0.0200527,0.0311854,-0.002433
 7,0.1581546,-0.0021233,-0.016115,0.0138641,0.0828555,0.5380976,0.03055
 93,0.0394371,0.1360585,0.1322007,1.1599196,0.074856,-0.2606026,0.16948
 56,1.0184522,0.624363,-0.4202122,0.5883482,0.8284562,-0.7577909,0.3195
 641,0.3671381,0.1907348,-0.546393,-0.255517,0.3427522,-0.3426479,-0.70
 85166,0.0307539,0.0265155,0.010424,0.0399563,0.0967455,0.040303,-0.002
 7894,0.0059756,-0.03458,-0.4917309,-0.1595385,0.0241554,-0.1087664,-0.
 6697103,-0.034629,0.0089589,-0.0546257,-0.2279928,-0.7333782,-0.337538
 5,-0.1009083,-0.1931893,-0.9216572,-0.3604083,0.0551708,-0.2437976,-0.
 5560754,0.0473379,-0.0249232,-0.0038643,-0.0247043,0.001151,0.006149,-
 0.0093071,-0.015899,-0.1000012,0.0172639,-0.0371505,-0.0106001,-0.0286
 339,-0.0940189,-0.0350009,-0.00612,-0.0358739,-0.0146924,0.2985863,-0.
 0557083,-0.0166851,-0.101609,0.2251699,-0.0091652,-0.0260651,-0.027576
 5,0.315777,0.1192222,0.163453,-0.0899902,0.062464,0.1627802,-0.0237329
 ,-0.0586074,-0.0327855,0.1427728,0.2478833,0.0527209,0.0842335,0.01054
 87,0.1681636,0.0388626,0.0437753,-0.0047043,0.065705,0.0513678,-0.0416
 772,-0.0167369,-0.0561641,-0.0976584,-0.0952528,0.0014152,-0.0294632,0
 .018589,-0.102903,-0.0567095,0.1000535,-0.0510865,0.0518989,0.0120867,
 0.0712249,0.0101361,-0.0080519,-0.0423098,0.1025641,-0.0743375,0.10150
 7,-0.0237517,0.0593573,-0.0446443,0.0285916,0.0203766,0.0588667,-0.019
 6481,0.0111674,-0.0875378,-0.070107,-0.0283546,-0.0115572,-0.0610873,0
 .0370797,-0.1028281,0.0769969,-0.0245764,0.1107349,-0.021131,0.0450749
 ,-0.0546306,0.0617219,0.0371778,0.0332141,-0.0136249,-0.0224483,-0.012
 1288,0.0637276,-0.0033917,0.0365705,-0.0003299,-0.174601\Polar=82.1626
 208,0.1974992,71.4152288,-2.3072927,1.729014,69.6613793\Quadrupole=1.5
 132044,-2.225679,0.7124746,-3.954364,-1.8728416,-1.9305477\PG=C01 [X(C
 5H11N1O2)]\NImag=0\\0.48570732,-0.02631426,0.56378965,0.03815268,0.009
 54315,0.55683646,-0.15644558,-0.02739791,0.03535466,0.46899901,-0.0275
 5163,-0.08855738,0.01044308,0.04875212,0.56211795,0.03526874,0.0102583
 7,-0.09238394,0.00602518,0.04454660,0.47771520,-0.03344118,0.02167394,
 -0.00925829,-0.10788020,0.01597665,-0.01670620,0.41246515,-0.00064911,
 0.00630526,-0.00369273,0.03215922,-0.09459340,0.01517490,0.00570432,0.
 47673829,0.00616185,-0.00576826,0.00328711,-0.02311419,0.01100959,-0.0
 8323598,-0.01860648,0.03105119,0.60053755,-0.00091080,0.00017597,-0.00
 063501,-0.03776335,0.00574999,0.00354811,-0.13898694,-0.03125863,0.014
 58933,0.56478068,0.00413470,-0.00624704,0.00283819,0.01059086,0.018599
 71,-0.00900019,-0.00956592,-0.08576054,0.01540352,0.20420495,0.7614835
 5,-0.00140698,0.00235857,-0.00255712,-0.01098614,-0.00838256,0.0066380
 9,0.01445609,0.02181906,-0.09297247,-0.04586578,0.24617122,0.42300767,
 -0.00103866,0.00113070,-0.00105223,-0.00025210,-0.00291559,0.00228204,
 -0.01800516,0.01697560,0.02997162,-0.16393828,0.02153390,0.07494822,0.
 50115542,-0.00045043,0.00069399,-0.00023280,-0.00130028,-0.00117928,0.
 00099805,-0.00693562,0.00656784,0.00116622,0.00691922,-0.12601963,-0.0
 4780059,0.16624071,0.33320015,0.00068705,-0.00109251,0.00134443,0.0000
 1443,0.00302787,-0.00371407,0.01470172,-0.01260221,-0.00284022,0.06339
 345,-0.05823179,-0.13785094,-0.15881646,0.10333708,0.20478231,-0.00081
 905,-0.00019219,0.03347633,-0.07919944,-0.00128267,-0.00496010,-0.0035
 3614,0.00115225,-0.02629269,0.00224941,0.00131454,-0.00355536,-0.00040
 159,-0.00023018,0.00095306,0.57372224,-0.00080328,0.00032975,0.0105144
 3,-0.00112964,-0.08050593,-0.00273816,0.00320806,-0.00052623,0.0227285
 6,-0.00159420,-0.00193784,-0.00107781,0.00060980,-0.00003158,0.0011187
 7,-0.00101591,0.56425588,0.00630280,0.00093026,-0.02083081,-0.00225228
 ,-0.00278852,-0.17770412,-0.00624668,0.00646704,-0.01582203,-0.0010495
 7,-0.00048632,0.00235154,0.00005597,0.00021720,-0.00134238,-0.00636188
 ,-0.00049618,0.45957217,-0.00132265,-0.00046241,0.00001228,0.00445342,
 0.02315778,0.00666108,-0.06395372,0.01305449,-0.00282976,0.00021036,-0
 .02572561,-0.00739033,-0.00412297,-0.00292089,0.00035050,-0.00024186,-
 0.00108356,-0.00057708,0.28388385,-0.00086743,-0.00007153,0.00021981,0
 .00141373,-0.03261826,-0.00639949,-0.03199949,-0.19562389,-0.02778555,
 -0.00459927,-0.02855257,-0.00835643,-0.00186257,0.00223318,0.00128472,
 -0.00014449,0.00054473,-0.00086537,-0.16124896,0.50796628,0.00058996,-
 0.00059250,0.00048090,0.00323808,0.01289642,0.00578711,-0.02067094,-0.
 04026871,-0.11479699,-0.00142529,-0.00012237,0.00189392,0.00027916,0.0
 0234778,0.00025565,0.00058371,0.00062532,0.00044925,0.06110117,-0.0228
 2618,0.66023090,0.00020144,0.00024227,-0.00088035,0.00110184,-0.001383
 62,0.00040315,-0.00061044,-0.03111695,-0.01095763,-0.18973668,-0.19128
 825,-0.06688962,0.03401758,0.02436422,0.01394868,-0.00084585,-0.000205
 73,0.00047479,-0.00858417,-0.00792689,0.00024706,0.16126413,-0.0008647
 6,0.00269729,-0.00066625,0.00223766,-0.00798576,0.00177267,-0.01921321
 ,-0.01381772,-0.01630803,-0.20378963,-0.54790277,-0.20956723,0.0180375
 6,-0.05318878,-0.06701267,-0.00087157,0.00122348,0.00014408,-0.0074622
 6,-0.00443362,0.00104452,0.21173940,0.62609886,0.00024133,-0.00011246,
 0.00023123,0.00245017,0.00024430,-0.00021606,0.00135096,-0.00597957,0.
 01356135,-0.07441636,-0.21416945,-0.18132445,0.00856100,-0.07085686,-0
 .02510405,0.00063370,0.00032655,-0.00044364,-0.00090695,-0.00011474,0.
 00213386,0.07227629,0.28835216,0.18824351,0.00081292,-0.00046049,-0.00
 162118,-0.00119106,0.00170929,-0.02526007,-0.04498857,-0.00399860,0.02
 041162,-0.00429473,-0.00333616,0.03385056,-0.00506863,-0.00127693,0.00
 049883,-0.00343900,0.00335373,-0.00054102,0.00062689,-0.00013171,-0.00
 561356,0.00000447,0.00187251,-0.00297164,0.05695403,-0.00107009,0.0007
 2913,-0.00012843,0.00112540,-0.00143559,0.02062387,-0.00418956,-0.0463
 3601,0.00404208,0.00130484,0.00121114,0.01168531,-0.00173043,-0.000351
 85,0.00052063,0.00311237,-0.00215791,0.00037297,0.00060711,-0.00775784
 ,-0.03864056,-0.00092399,-0.00047038,-0.00106910,0.00224518,0.06061946
 ,0.00139861,-0.00090012,0.00082438,-0.00140081,0.00237428,-0.01378136,
 0.01894404,-0.00194378,-0.30150125,0.00190140,-0.00072452,-0.01157022,
 0.00108632,0.00134585,0.00035778,-0.00174355,0.00197997,0.00119178,-0.
 00039407,-0.00435595,-0.01002146,-0.00044764,-0.00015415,0.00257935,-0
 .01939323,0.00453373,0.32897202,-0.00973247,-0.02907053,-0.00766449,-0
 .06093900,-0.05545482,-0.01929081,0.00337963,0.02212143,0.00767411,-0.
 00013061,0.00324351,0.00174701,0.00006721,-0.00052563,-0.00060535,-0.0
 0020783,-0.00075231,-0.00081533,-0.00340318,0.00335709,-0.00267074,-0.
 00060407,-0.00106879,-0.00028297,0.00093299,-0.00049538,0.00007362,0.0
 7300325,-0.00282309,-0.00708965,-0.00156427,-0.05112979,-0.26380974,-0
 .07404640,-0.00314742,-0.02056547,-0.00676314,-0.00119889,-0.00333461,
 -0.00159284,-0.00003360,0.00070913,0.00048484,0.00056451,0.00181095,0.
 00006868,0.00323202,-0.00203705,0.00297375,-0.00129651,0.00247725,0.00
 065669,-0.00041465,0.00044499,0.00032692,0.05694250,0.28820729,0.00401
 678,0.01339385,0.00377676,-0.01852162,-0.07503477,-0.07384055,0.002731
 05,0.00978029,0.00267639,0.00003551,-0.00083481,0.00033148,0.00000898,
 0.00001273,0.00017281,-0.00798823,-0.03164285,-0.01529459,-0.00170986,
 0.00180831,-0.00022002,-0.00017862,0.00060513,-0.00033205,0.00068047,0
 .00010009,0.00044835,0.01970926,0.07907194,0.08554729,-0.00006358,0.00
 013423,-0.00007545,-0.00015600,0.00001559,0.00025743,0.00209940,0.0016
 5780,0.00427032,-0.03624626,-0.01215391,0.01537147,-0.33965069,-0.1847
 4171,0.06477151,-0.00013424,-0.00008679,0.00008666,0.00164022,0.001153
 24,-0.00027120,0.00416270,-0.00295489,-0.00804571,-0.00126554,-0.00022
 900,0.00025915,-0.00009338,0.00010220,0.00001828,0.36972984,-0.0000050
 2,0.00014578,-0.00007091,-0.00043498,-0.00021421,0.00022946,0.00006792
 ,-0.00107349,-0.00491040,0.02235559,0.01933407,-0.00287444,-0.21721715
 ,-0.16359349,0.02868593,0.00013116,-0.00007389,-0.00003257,-0.00119865
 ,0.00015187,0.00060006,-0.00239514,-0.00579612,0.00173463,0.00090868,0
 .00040255,-0.00017689,0.00009850,-0.00002161,-0.00001025,0.19733981,0.
 15030755,0.00022385,-0.00043728,0.00017517,0.00116431,0.00080836,-0.00
 079413,0.00270193,-0.00509165,0.00095188,0.03846780,0.01789030,-0.0059
 8403,0.04224089,0.00884208,-0.03745901,-0.00020988,-0.00000749,-0.0000
 5444,-0.00134917,-0.00079184,0.00038483,-0.00769245,0.00187201,-0.0003
 1385,0.00004949,-0.00006175,-0.00019589,-0.00001319,-0.00008889,-0.000
 02237,-0.07613874,-0.02358085,0.04296035,0.00033212,0.00024785,-0.0002
 3519,0.00005903,0.00082961,0.00055967,-0.00160918,-0.01157787,0.003719
 29,0.00219184,-0.00241917,0.00000826,-0.00054487,0.00024200,0.00012574
 ,0.00007356,-0.00013092,0.00019986,-0.17494644,0.17669757,-0.14300378,
 -0.00045737,0.00044598,-0.00014447,0.00022289,0.00031786,0.00016303,-0
 .00018129,0.00028068,-0.00023270,-0.00013212,0.00012327,-0.00001291,0.
 17322426,-0.00053792,0.00021781,0.00006942,-0.00310732,-0.00524711,-0.
 00332820,0.02379812,-0.02514985,0.01792198,0.00134947,-0.00166867,-0.0
 0000028,-0.00021934,0.00077323,0.00032182,-0.00054234,0.00032746,-0.00
 078815,0.13767210,-0.17928199,0.09950005,0.00016756,0.00096437,0.00003
 336,0.00025682,0.00143032,-0.00046313,0.00147723,-0.00104355,0.0006340
 9,-0.00029719,0.00023491,0.00012013,-0.15856634,0.20507651,-0.00024029
 ,-0.00013628,0.00020562,-0.00071589,-0.00320843,-0.00087170,0.00953058
 ,-0.00918895,0.00720187,-0.00047394,0.00089154,0.00071924,0.00015490,-
 0.00069196,-0.00007648,-0.00040441,-0.00018764,-0.00030396,-0.11218684
 ,0.10035063,-0.14423010,-0.00036584,-0.00083979,-0.00057979,0.00055820
 ,-0.00017189,0.00050617,0.00057820,-0.00078396,0.00037774,0.00015610,-
 0.00019656,0.00001324,0.13036606,-0.11227308,0.15658494,-0.00039313,0.
 00038118,-0.00016646,0.00050281,0.00029940,0.00176884,-0.00362849,-0.0
 0696766,-0.00769444,0.00192865,-0.00126309,-0.00410229,-0.00102494,-0.
 00000927,0.00053422,0.00108680,0.00105445,0.00057460,-0.03569383,0.025
 67418,0.10744322,0.00016203,0.00138738,0.00138471,0.00062551,-0.000518
 87,-0.00006828,-0.00006652,-0.00005717,-0.00037892,-0.00004100,0.00027
 752,0.00046093,0.00129494,-0.00188042,-0.02736142,0.03689857,0.0000284
 6,-0.00002253,0.00007189,-0.00007737,0.00048113,-0.00086453,0.00700819
 ,-0.00468475,-0.04113069,0.00053988,-0.00043565,-0.00287282,-0.0005588
 6,0.00013723,0.00081923,0.00004913,-0.00017236,0.00011488,0.01772621,-
 0.06017512,-0.01832672,0.00005866,0.00065263,0.00098534,-0.00087206,-0
 .00650271,-0.00170215,-0.00007797,0.00011227,0.00034780,-0.00010226,0.
 00018118,0.00043976,-0.00673785,0.00276093,0.02581544,-0.01751459,0.06
 782403,-0.00014156,-0.00000305,-0.00013438,0.00000522,-0.00016593,0.00
 019451,0.00433158,-0.00207778,-0.01182908,0.00052649,-0.00021106,-0.00
 054098,0.00097445,0.00133705,0.00017110,-0.00015244,0.00006055,-0.0001
 0564,0.05799163,-0.03214408,-0.40357869,0.00052833,0.00094550,0.000687
 33,-0.00032290,-0.00217521,0.00155600,0.00001846,0.00002807,-0.0001014
 9,-0.00024620,0.00041101,0.00031874,0.00820773,-0.00208702,-0.01993591
 ,-0.07117241,0.03487694,0.43343408,0.00039485,0.00100154,0.00035212,-0
 .00138404,-0.00118673,-0.00093176,0.00003338,-0.00130829,-0.00034585,0
 .00006794,-0.00084661,-0.00011109,-0.00008242,0.00030326,0.00018331,-0
 .06622317,-0.06124961,-0.02356026,0.00012455,0.00012896,0.00007185,0.0
 0009880,0.00055432,0.00001004,0.00009156,0.00018627,0.00007283,0.00070
 314,0.00023847,-0.00008571,0.00007653,-0.00005181,0.00005797,0.0000318
 1,0.00011417,0.00027377,-0.00097588,0.00091693,-0.00072897,0.06705154,
 0.00002349,0.00066249,0.00028790,-0.00030448,0.00085722,-0.00118312,0.
 00043071,-0.00075869,-0.00033502,0.00036251,-0.00027157,-0.00038732,-0
 .00017270,0.00017681,0.00021645,-0.06125050,-0.25490325,-0.08181514,0.
 00109494,-0.00036314,0.00016873,-0.00013420,0.00018409,0.00008096,-0.0
 0013517,0.00008432,-0.00012520,0.00020608,0.00141998,0.00041098,0.0000
 4452,-0.00003056,-0.00000419,-0.00013292,0.00019489,0.00039576,0.00016
 192,-0.00009093,0.00104252,0.06683695,0.27839010,-0.00104287,-0.000778
 95,0.00185102,-0.00880267,-0.03228208,-0.01326630,0.00020812,-0.001631
 17,0.00067280,0.00019398,-0.00028626,-0.00063364,-0.00008823,0.0001212
 1,0.00024477,-0.02293830,-0.08048843,-0.07843774,0.00013066,0.00049012
 ,0.00083042,-0.00009095,0.00037447,0.00027653,0.00023010,0.00012097,0.
 00017250,-0.00009578,0.00093602,-0.00672037,-0.00001467,0.00001483,0.0
 0001000,0.00028777,0.00024890,0.00027643,-0.00127237,0.00080536,-0.000
 20114,0.02700481,0.09055463,0.08734793,0.00086658,0.00046402,0.0001677
 3,0.00239722,0.00139510,-0.00129207,0.00063293,0.00030014,0.00007898,-
 0.00037301,-0.00038086,0.00030742,-0.00058814,0.00030784,-0.00073341,-
 0.24942175,-0.05968410,0.08907624,0.00017550,-0.00018678,-0.00000382,0
 .00014966,0.00033918,-0.00016017,0.00010938,-0.00005878,0.00008665,0.0
 0021059,0.00021198,0.00057936,-0.00007249,0.00002917,-0.00007187,0.000
 05413,0.00000476,0.00001355,-0.00019085,-0.00015594,0.00007594,-0.0068
 3530,-0.00137119,0.00217298,0.27150360,0.00034249,0.00056907,0.0002991
 1,0.00056264,-0.00162571,0.00028964,-0.00080220,0.00019797,0.00020615,
 -0.00027155,0.00122692,0.00149380,0.00025843,-0.00025695,-0.00100071,-
 0.05909453,-0.06516719,0.02560558,0.00025596,-0.00009472,0.00015264,0.
 00009437,-0.00069459,-0.00021527,0.00005405,0.00000164,-0.00006726,0.0
 0044226,0.00020141,0.00016505,0.00011455,0.00004866,-0.00000359,0.0001
 5585,-0.00000293,-0.00005399,-0.00032742,-0.00046083,0.00015086,-0.026
 11069,-0.00636183,0.01202970,0.06531893,0.06524802,-0.00227685,-0.0006
 1734,-0.00679665,0.03090824,0.00927212,-0.01146287,0.00089360,0.000048
 49,0.00153026,-0.00052562,0.00090575,-0.00160194,-0.00018604,-0.000188
 04,0.00050907,0.08769007,0.02559227,-0.08733215,-0.00034825,0.00005922
 ,0.00002882,-0.00015881,-0.00038793,0.00031150,0.00009184,-0.00043357,
 0.00020087,-0.00011639,-0.00050074,0.00121821,-0.00025358,0.00006908,0
 .00007912,-0.00002491,0.00010060,0.00001630,0.00011657,0.00023887,-0.0
 0005334,-0.01092954,-0.00168332,0.00432698,-0.09799514,-0.02933873,0.0
 9614018,0.00057048,-0.00048275,0.00062208,-0.00214339,0.00034561,-0.00
 064149,0.00096878,-0.00094686,-0.00038852,0.00038478,0.00050558,0.0009
 6541,-0.00009949,-0.00004728,-0.00056566,-0.16913837,0.12003750,-0.053
 88831,0.00026577,-0.00005989,0.00010808,-0.00005832,-0.00031082,-0.000
 11826,-0.00004780,0.00029134,-0.00016086,-0.00000158,-0.00020251,-0.00
 026977,0.00010745,-0.00000148,-0.00001024,0.00001627,0.00001320,0.0000
 9313,-0.00025681,-0.00015241,0.00005254,0.00656437,-0.00616936,0.00346
 310,-0.01918012,0.01926574,-0.00857196,0.18158143,0.00027981,-0.000184
 94,-0.00024971,-0.00084584,-0.00010587,-0.00089196,-0.00031993,0.00031
 796,-0.00064623,-0.00023344,-0.00014111,0.00006609,0.00007984,0.000055
 73,-0.00015051,0.11985548,-0.16340876,0.05344332,0.00025779,0.00016934
 ,0.00020432,0.00018198,0.00018392,0.00003666,0.00005519,0.00008563,-0.
 00003751,-0.00033526,0.00073668,0.00033265,0.00000095,-0.00000059,0.00
 003921,0.00003669,0.00013400,0.00025652,-0.00061984,0.00043671,-0.0000
 1050,0.02045687,-0.01952642,0.00867121,-0.00629010,0.00631486,-0.00363
 501,-0.13196020,0.17461929,-0.00129409,0.00034027,0.00141479,-0.023460
 14,0.02326962,-0.01157481,0.00052063,-0.00147149,-0.00686476,0.0017290
 9,0.00049820,-0.00104506,-0.00027571,0.00003250,0.00063455,-0.05260837
 ,0.05202291,-0.06844257,0.00050583,-0.00043378,0.00035578,-0.00037004,
 -0.00041040,0.00018809,-0.00145707,0.00117310,-0.00076295,-0.00013618,
 -0.00042926,0.00154301,-0.00004432,0.00001041,-0.00000607,-0.00001872,
 0.00002321,0.00021726,-0.00017045,0.00023129,0.00004505,0.00876484,-0.
 00720748,0.00306654,0.00807419,-0.00940177,0.00357022,0.05925458,-0.05
 760700,0.07748702,-0.05933384,-0.05481378,-0.01540725,-0.00865559,-0.0
 2992493,-0.00825169,0.00072635,-0.00185033,-0.00063069,0.00000648,-0.0
 0078176,-0.00029449,0.00005478,0.00028222,0.00013089,0.00099659,0.0002
 3963,-0.00145501,0.00021974,0.00062512,0.00038360,0.00001081,0.0007573
 9,0.00014627,-0.00009479,0.00013415,-0.00004147,-0.00512269,-0.0010408
 6,0.00282276,0.00001777,0.00001718,-0.00000132,0.00041248,0.00022378,-
 0.00006432,-0.00020803,0.00000241,0.00010171,0.00037479,0.00036925,0.0
 0069556,0.00003093,0.00033692,-0.00012757,-0.00001627,0.00011839,0.000
 09912,0.06560632,-0.05793377,-0.27906426,-0.06483198,-0.00401726,-0.00
 861272,-0.00214198,0.00042834,-0.00080346,0.00026983,0.00017631,-0.000
 20093,-0.00043099,-0.00015384,0.00011204,0.00023084,0.00040306,0.00034
 217,-0.00041660,0.00190114,-0.00009074,-0.00022919,-0.00023254,0.00007
 941,0.00008690,-0.00001386,-0.00005328,0.00002558,-0.00119045,0.000934
 90,0.00111757,0.00001863,0.00000139,-0.00001446,-0.00002859,0.00013842
 ,0.00008250,0.00007063,-0.00000325,-0.00003081,-0.00010337,0.00024411,
 0.00068817,0.00008362,0.00030812,0.00010589,-0.00004171,-0.00008031,-0
 .00002969,0.06451885,0.30386746,-0.01650296,-0.06495334,-0.06687233,0.
 00243784,0.01311997,0.00285731,-0.00055634,-0.00077431,0.00018013,-0.0
 0003436,0.00019040,0.00005617,-0.00000038,0.00000291,-0.00004798,-0.00
 022628,0.00114299,0.00130251,0.00060120,0.00012172,-0.00054640,0.00007
 472,-0.00010051,0.00001694,0.00003003,-0.00014900,-0.00004353,0.002535
 74,0.00080513,-0.00037925,-0.00000282,-0.00000092,0.00002388,-0.000224
 93,-0.00007393,0.00001307,0.00035449,0.00002713,0.00001147,0.00003656,
 -0.00034736,-0.00010288,-0.00016760,-0.00025471,0.00007922,0.00002765,
 0.00002055,-0.00004422,0.01526637,0.07093553,0.06874982,-0.17778749,0.
 11407777,-0.06111315,-0.02179833,0.01872135,-0.00976676,-0.00516060,-0
 .00330588,0.00246299,0.00049128,0.00246674,-0.00115813,-0.00078875,-0.
 00022071,0.00066918,0.00104783,0.00073942,-0.00134985,0.00066407,-0.00
 010205,-0.00004531,-0.00041976,-0.00085489,0.00011471,0.00038132,-0.00
 036663,0.00027815,0.00092711,-0.00030040,-0.00059647,-0.00003312,-0.00
 002349,0.00012451,-0.00001658,0.00001678,0.00006990,-0.00008811,0.0000
 6207,-0.00004345,-0.00001432,-0.00000582,0.00011105,0.00037284,-0.0003
 7879,-0.00014505,0.00037161,-0.00044027,0.00089884,0.00603602,-0.00428
 564,0.00367360,0.19637926,0.11545557,-0.14665939,0.05332151,-0.0077913
 9,0.00538279,-0.00300313,-0.00245068,-0.00075374,0.00043154,-0.0003734
 2,0.00051060,-0.00031199,-0.00001649,0.00000765,0.00011140,-0.00007270
 ,0.00019059,-0.00017595,0.00105059,0.00030058,-0.00006662,0.00008352,-
 0.00013675,0.00003832,-0.00004547,-0.00013199,0.00016047,0.00050069,0.
 00066058,-0.00049401,-0.00001780,0.00000112,0.00006969,0.00004360,0.00
 009238,-0.00000082,0.00006897,0.00001537,0.00003052,0.00013666,-0.0001
 4164,0.00005525,-0.00013921,0.00006234,-0.00027073,0.00006154,0.000256
 37,-0.00018716,0.02179833,-0.01713575,0.01123860,-0.12555780,0.1562837
 6,-0.06244659,0.05388674,-0.07627044,0.00906671,-0.00853552,0.00264550
 ,0.00253663,0.00043674,-0.00087519,-0.00002904,-0.00069606,0.00082875,
 0.00004393,0.00001650,-0.00020652,0.00053905,-0.00065593,0.00080211,0.
 00009417,0.00002254,0.00021638,0.00002680,0.00026422,-0.00003924,0.000
 19222,-0.00000021,0.00039513,-0.00068268,-0.00003915,0.00023595,-0.000
 02627,0.00004518,-0.00005517,0.00006443,0.00001662,-0.00004756,-0.0000
 0287,0.00000248,0.00004391,0.00000156,-0.00007340,-0.00005665,-0.00021
 237,-0.00004590,0.00019218,0.00014175,0.00024959,-0.00010638,0.0072681
 5,-0.00508777,0.00256368,0.06644964,-0.06031414,0.07951602,-0.04759729
 ,-0.00033514,-0.01002882,0.00029475,0.00274752,0.03032672,0.00149501,-
 0.00014507,0.00152015,0.00006922,-0.00023344,0.00010576,0.00031170,-0.
 00000054,-0.00024168,-0.00556815,-0.00150654,0.00132636,0.00000446,0.0
 0007964,-0.00034125,0.00014320,0.00001945,-0.00012265,-0.00037184,0.00
 025822,-0.00061390,0.00125871,0.00007255,-0.00064056,0.00005450,-0.000
 02107,0.00000808,-0.00002548,0.00005690,0.00001856,0.00006828,-0.00014
 262,-0.00000616,-0.00009813,0.00014598,-0.00015232,0.00015830,-0.00021
 701,0.00195940,0.00011118,-0.00027810,-0.00001202,-0.00106186,0.000400
 44,-0.00732252,-0.00056430,-0.00273451,-0.02302523,0.05131773,-0.00039
 371,-0.04824351,-0.01617140,0.00069465,-0.00094785,0.00970360,0.000327
 77,0.00031992,-0.00058335,0.00018031,0.00010694,0.00006126,0.00001402,
 -0.00004540,-0.00006918,-0.00188541,-0.00014005,0.00050080,0.00009222,
 -0.00026552,0.00055925,-0.00002812,-0.00013480,-0.00005842,0.00022966,
 0.00018841,-0.00009614,0.00058187,0.00018626,0.00023621,0.00000203,-0.
 00000513,0.00000047,0.00017270,0.00004886,-0.00005905,-0.00021730,-0.0
 0005332,0.00002243,-0.00001729,0.00023402,0.00035604,-0.00018779,0.000
 48576,0.00066312,-0.00014525,0.00013750,-0.00042347,-0.00101195,0.0000
 1667,-0.03095086,-0.00024175,0.00119514,0.02050748,0.00183334,0.046916
 08,-0.00769148,-0.01531911,-0.30458220,-0.00141109,-0.00061440,-0.0129
 9184,-0.00086200,-0.00005538,0.00013864,0.00006980,-0.00002630,0.00025
 400,-0.00018844,-0.00000691,0.00016918,0.00356556,0.00118216,0.0004447
 0,0.00024379,-0.00028365,0.00034585,0.00005213,0.00007221,0.00012344,0
 .00058733,-0.00034302,0.00067232,0.00003750,0.00045662,0.00058270,-0.0
 0007194,0.00005321,-0.00003224,0.00019578,0.00002361,-0.00008639,-0.00
 024768,0.00012049,0.00001846,-0.00013648,0.00000361,0.00034282,0.00000
 340,-0.00001060,-0.00095597,-0.00011325,-0.00009170,0.00032451,-0.0006
 4060,-0.00032934,-0.00781761,-0.00063441,-0.00063273,-0.00978246,0.007
 24207,0.01580122,0.33283210\\0.00000435,0.00000078,-0.00000612,-0.0000
 0114,0.00000359,0.00001085,-0.00000565,-0.00000393,0.00000390,0.000003
 12,0.00000946,-0.00000217,0.00000123,-0.00000138,0.00000105,0.00000148
 ,-0.00000548,-0.00000813,0.00000352,0.00000249,-0.00000903,-0.00000237
 ,-0.00000295,-0.00000334,0.00000339,0.00000092,0.00000022,-0.00000036,
 0.00000038,-0.00000272,-0.00000253,-0.00000281,0.00000050,-0.00000510,
 0.00000161,0.00000484,0.00000313,-0.00000117,0.00000524,0.00000071,-0.
 00000092,0.00000163,-0.00000064,0.00000052,0.00000180,-0.00000088,-0.0
 0000128,-0.00000026,-0.00000189,0.00000115,0.00000199,0.00000050,0.000
 00213,-0.00000064,-0.00000087,-0.00000310,0.00000037\\\@


 CHILDREN YOU ARE VERY LITTLE,
 AND YOUR BONES ARE VERY BRITTLE;
 IF YOU WOULD GROW GREAT AND STATELY
 YOU MUST TRY TO WALK SEDATELY.
 YOU MUST STILL BE BRIGHT AND QUIET,
 AND CONTENT WITH SIMPLE DIET;
 AND REMAIN, THROUGH ALL BEWILD'RING
 INNOCENT AND HONEST CHILDREN.
     -- A CHILD'S GARDEN OF VERSE,
        ROBERT LOUIS STEVENSON
 Job cpu time:       0 days  4 hours 54 minutes 37.6 seconds.
 Elapsed time:       0 days  0 hours 36 minutes 53.6 seconds.
 File lengths (MBytes):  RWF=    240 Int=      0 D2E=      0 Chk=      8 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:24:02 2021.
